N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

C14H24N4O2 — CID 100658931

IUPACN-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)NCC(C)(C)C[C@H](C)O)n1
InChIInChI=1S/C14H24N4O2/c1-9-6-11(18-13(15-5)17-9)12(20)16-8-14(3,4)7-10(2)19/h6,10,19H,7-8H2,1-5H3,(H,16,20)(H,15,17,18)/t10-/m0/s1
InChIKeyBOLXZVHAGPREDH-JTQLQIEISA-N
MW280.37 g/mol
LogP1.35
Rot. Bonds6

About N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 100658931) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID100658931
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)NCC(C)(C)C[C@H](C)O)n1
InChIInChI=1S/C14H24N4O2/c1-9-6-11(18-13(15-5)17-9)12(20)16-8-14(3,4)7-10(2)19/h6,10,19H,7-8H2,1-5H3,(H,16,20)(H,15,17,18)/t10-/m0/s1
InChIKeyBOLXZVHAGPREDH-JTQLQIEISA-N
XLogP1.35
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-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

{(3R*,4R*)-4-{[[2-(dimethylamino)ethyl](methyl)amino]methyl}-1-[(2,6-dimethylpyrimidin-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70728326
N-(3-ethoxypropyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 71688584
N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71688607
{(3R*,4R*)-4-(1-azepanylmethyl)-1-[(2,6-dimethyl-4-pyrimidinyl)carbonyl]-3-pyrrolidinyl}methanol
CID 72923622
4-Isopropyl-6-(1,2-oxazinan-2-ylcarbonyl)-2-pyrimidinamine
CID 28786531
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 50976603
2-(diethylamino)-N-(2-hydroxyethyl)-6-methylpyrimidine-4-carboxamide
CID 60182005
2-(dimethylamino)-6-methyl-N-(propan-2-yl)pyrimidine-4-carboxamide
CID 60182045
N-[(1S)-1-(3-hydroxycyclobutyl)propyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 100048644
6-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 121537903
N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
CID 132301107
6-(difluoromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
CID 132389749

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (CID 100658931) is N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)NCC(C)(C)C[C@H](C)O)n1.
What is the InChIKey of N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is BOLXZVHAGPREDH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-6-11(18-13(15-5)17-9)12(20)16-8-14(3,4)7-10(2)19/h6,10,19H,7-8H2,1-5H3,(H,16,20)(H,15,17,18)/t10-/m0/s1.
What are the key properties of N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 100658931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).