N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide

C11H17N3O2 — CID 104629634

IUPACN-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-11(2,3-4-15)7-14-10(16)9-5-12-8-13-6-9/h5-6,8,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyKRCNNNYVWXANSV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.62
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide (PubChem CID 104629634) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
PubChem CID104629634
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-11(2,3-4-15)7-14-10(16)9-5-12-8-13-6-9/h5-6,8,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyKRCNNNYVWXANSV-UHFFFAOYSA-N
XLogP0.62
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 69129380
N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide
CID 130266298
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
CID 103772304
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
CID 103708150
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide (CID 104629634) is N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide is CC(C)(CCO)CNC(=O)c1cncnc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide?
The InChIKey is KRCNNNYVWXANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3-4-15)7-14-10(16)9-5-12-8-13-6-9/h5-6,8,15H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104629634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).