6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione

C22H32N4O3 — CID 8923342

IUPAC6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H32N4O3/c1-6-11-26-20(23)18(21(28)25-22(26)29)17(27)12-24-19(14(4)5)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,19,24H,6,11-12,23H2,1-5H3,(H,25,28,29)/t19-/m1/s1
InChIKeyTYKYQAYRELZASX-LJQANCHMSA-N
MW400.52 g/mol
LogP2.82
Rot. Bonds9

About 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 8923342) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID8923342
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H32N4O3/c1-6-11-26-20(23)18(21(28)25-22(26)29)17(27)12-24-19(14(4)5)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,19,24H,6,11-12,23H2,1-5H3,(H,25,28,29)/t19-/m1/s1
InChIKeyTYKYQAYRELZASX-LJQANCHMSA-N
XLogP2.82
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]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)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9129626
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-benzhydryl-methylazanium
CID 8017078
6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9334866
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658638
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663893
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 4-bromobenzoate
CID 7783540
[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] 3-chlorobenzoate
CID 7838704
[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-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852354

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione (CID 8923342) is 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is TYKYQAYRELZASX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-6-11-26-20(23)18(21(28)25-22(26)29)17(27)12-24-19(14(4)5)16-9-7-15(8-10-16)13(2)3/h7-10,13-14,19,24H,6,11-12,23H2,1-5H3,(H,25,28,29)/t19-/m1/s1.
What are the key properties of 6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 400.52 g/mol, XLogP of 2.82, 9 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)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 8923342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).