(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide

C12H20N4O3 — CID 107625737

IUPAC(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-5-7(2)10(13)11(17)16-12-14-8(18-3)6-9(15-12)19-4/h6-7,10H,5,13H2,1-4H3,(H,14,15,16,17)/t7?,10-/m0/s1
InChIKeyNWGHCONWWAULBB-MHPPCMCBSA-N
MW268.32 g/mol
LogP0.81
Rot. Bonds6

About (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide

(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide (PubChem CID 107625737) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
PubChem CID107625737
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-5-7(2)10(13)11(17)16-12-14-8(18-3)6-9(15-12)19-4/h6-7,10H,5,13H2,1-4H3,(H,14,15,16,17)/t7?,10-/m0/s1
InChIKeyNWGHCONWWAULBB-MHPPCMCBSA-N
XLogP0.81
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide
CID 57157482
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide
CID 119897985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide (CID 107625737) is (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide?
The InChIKey is NWGHCONWWAULBB-MHPPCMCBSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-5-7(2)10(13)11(17)16-12-14-8(18-3)6-9(15-12)19-4/h6-7,10H,5,13H2,1-4H3,(H,14,15,16,17)/t7?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide?
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide has a molecular weight of 268.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide is sourced from PubChem (CID 107625737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).