N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide

C26H42FN7O6 — CID 57394759

IUPACN-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N1CCCCCCC1
InChIInChI=1S/C26H42FN7O6/c1-14(2)12-17(25(39)34-10-8-6-5-7-9-11-34)30-24(38)19(15(3)4)31-21(35)16(28)13-29-23(37)20-18(27)22(36)33-26(40)32-20/h14-17,19H,5-13,28H2,1-4H3,(H,29,37)(H,30,38)(H,31,35)(H2,32,33,36,40)/t16-,17-,19-/m0/s1
InChIKeyDRGXTKBVXOUQJO-LNLFQRSKSA-N
MW567.66 g/mol
LogP-0.28
Rot. Bonds11

About N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 57394759) has the molecular formula C26H42FN7O6 and a molecular weight of 567.66 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID57394759
Molecular FormulaC26H42FN7O6
Molecular Weight567.66 g/mol
Exact Mass567.32
IUPAC NameN-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N1CCCCCCC1
InChIInChI=1S/C26H42FN7O6/c1-14(2)12-17(25(39)34-10-8-6-5-7-9-11-34)30-24(38)19(15(3)4)31-21(35)16(28)13-29-23(37)20-18(27)22(36)33-26(40)32-20/h14-17,19H,5-13,28H2,1-4H3,(H,29,37)(H,30,38)(H,31,35)(H2,32,33,36,40)/t16-,17-,19-/m0/s1
InChIKeyDRGXTKBVXOUQJO-LNLFQRSKSA-N
XLogP-0.28
TPSA199.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.66
LogP ≤ 5-0.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-[(1-cyclohexyl-2-methylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 57391258
N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-[[1-(4-bromophenyl)-2-methylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 57393016
N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[(2-methyl-1-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 57393015
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
N-[(2S)-2-amino-3-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[(2-methyl-1-phenylpropan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropyl]-2H-tetrazole-5-carboxamide
CID 57399948
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
3-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2H-tetrazole-5-carbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]benzoic acid
CID 53323445
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18298736
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18745087
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18302149

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 57394759) is N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N1CCCCCCC1.
What is the InChIKey of N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is DRGXTKBVXOUQJO-LNLFQRSKSA-N. The full InChI is InChI=1S/C26H42FN7O6/c1-14(2)12-17(25(39)34-10-8-6-5-7-9-11-34)30-24(38)19(15(3)4)31-21(35)16(28)13-29-23(37)20-18(27)22(36)33-26(40)32-20/h14-17,19H,5-13,28H2,1-4H3,(H,29,37)(H,30,38)(H,31,35)(H2,32,33,36,40)/t16-,17-,19-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 567.66 g/mol, XLogP of -0.28, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 57394759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).