N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

C12H19N3O2S — CID 43500630

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H19N3O2S/c1-7-9(10(17)15-12(3,4)6-16)11(18-5)14-8(2)13-7/h16H,6H2,1-5H3,(H,15,17)
InChIKeyCUKADEQFJGCKSJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.32
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 43500630) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID43500630
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H19N3O2S/c1-7-9(10(17)15-12(3,4)6-16)11(18-5)14-8(2)13-7/h16H,6H2,1-5H3,(H,15,17)
InChIKeyCUKADEQFJGCKSJ-UHFFFAOYSA-N
XLogP1.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylbutanoic acid
CID 79793636
N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 103899620
N-(3-hydroxy-2-methylpropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 65037508
3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62676218
N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 64593244
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 61497884
(2R)-4-amino-2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821364
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 64555401
2,4-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 61022737
2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 61284718

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 43500630) is N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(C)nc(C)c1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is CUKADEQFJGCKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7-9(10(17)15-12(3,4)6-16)11(18-5)14-8(2)13-7/h16H,6H2,1-5H3,(H,15,17).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 43500630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).