N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

C15H25N3O2S — CID 103899620

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H25N3O2S/c1-10-12(14(21-5)18-11(2)17-10)13(20)16-9-15(3,4)7-6-8-19/h19H,6-9H2,1-5H3,(H,16,20)
InChIKeyMYNZOJARNMPMBI-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.34
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 103899620) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID103899620
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H25N3O2S/c1-10-12(14(21-5)18-11(2)17-10)13(20)16-9-15(3,4)7-6-8-19/h19H,6-9H2,1-5H3,(H,16,20)
InChIKeyMYNZOJARNMPMBI-UHFFFAOYSA-N
XLogP2.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 65037508
N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 43500630
3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62676218
5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 103899838
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
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
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 103900041
2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 66172177

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 103899620) is N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(C)nc(C)c1C(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is MYNZOJARNMPMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-12(14(21-5)18-11(2)17-10)13(20)16-9-15(3,4)7-6-8-19/h19H,6-9H2,1-5H3,(H,16,20).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 103899620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).