6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione

C23H34N4O3 — CID 9129626

IUPAC6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N4O3/c1-7-12-27-20(24)18(21(29)26-22(27)30)17(28)13-25-19(14(2)3)15-8-10-16(11-9-15)23(4,5)6/h8-11,14,19,25H,7,12-13,24H2,1-6H3,(H,26,29,30)/t19-/m1/s1
InChIKeyPARSFXLHMBYUAX-LJQANCHMSA-N
MW414.55 g/mol
LogP3.00
Rot. Bonds8

About 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 9129626) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID9129626
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N4O3/c1-7-12-27-20(24)18(21(29)26-22(27)30)17(28)13-25-19(14(2)3)15-8-10-16(11-9-15)23(4,5)6/h8-11,14,19,25H,7,12-13,24H2,1-6H3,(H,26,29,30)/t19-/m1/s1
InChIKeyPARSFXLHMBYUAX-LJQANCHMSA-N
XLogP3.00
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione 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

6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 8923342
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658638
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 18289341
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725732
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7697349
6-amino-1-(2-methylpropyl)-5-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 46667648
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569782
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852354
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841465
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25336706

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione (CID 9129626) is 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is PARSFXLHMBYUAX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-7-12-27-20(24)18(21(29)26-22(27)30)17(28)13-25-19(14(2)3)15-8-10-16(11-9-15)23(4,5)6/h8-11,14,19,25H,7,12-13,24H2,1-6H3,(H,26,29,30)/t19-/m1/s1.
What are the key properties of 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 414.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9129626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).