2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide

C17H22N4O2 — CID 136627604

IUPAC2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide
SMILESC[C@H](Nc1cc(=O)[nH]c(NC(=O)C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-11(12-8-6-5-7-9-12)18-13-10-14(22)20-16(19-13)21-15(23)17(2,3)4/h5-11H,1-4H3,(H3,18,19,20,21,22,23)/t11-/m0/s1
InChIKeyKXTWFZHVYYZQDZ-NSHDSACASA-N
MW314.39 g/mol
LogP2.93
Rot. Bonds4

About 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide

2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide (PubChem CID 136627604) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide
PubChem CID136627604
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide
SMILESC[C@H](Nc1cc(=O)[nH]c(NC(=O)C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-11(12-8-6-5-7-9-12)18-13-10-14(22)20-16(19-13)21-15(23)17(2,3)4/h5-11H,1-4H3,(H3,18,19,20,21,22,23)/t11-/m0/s1
InChIKeyKXTWFZHVYYZQDZ-NSHDSACASA-N
XLogP2.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide 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

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-(1-phenylethylamino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779692
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135795449
4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974910
3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one
CID 121205925
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974919
2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
2-methyl-4-(3-phenylbutylamino)-1H-pyrimidin-6-one
CID 136956626

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide (CID 136627604) is 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide is C[C@H](Nc1cc(=O)[nH]c(NC(=O)C(C)(C)C)n1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide?
The InChIKey is KXTWFZHVYYZQDZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(12-8-6-5-7-9-12)18-13-10-14(22)20-16(19-13)21-15(23)17(2,3)4/h5-11H,1-4H3,(H3,18,19,20,21,22,23)/t11-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide?
2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide is sourced from PubChem (CID 136627604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).