2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide

C11H17N3O2 — CID 167216038

IUPAC2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1nccc(C(=O)NCCO)n1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)10-13-5-4-8(14-10)9(16)12-6-7-15/h4-5,15H,6-7H2,1-3H3,(H,12,16)
InChIKeyXGLOEQINQRMMDR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.50
Rot. Bonds3

About 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide

2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide (PubChem CID 167216038) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
PubChem CID167216038
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1nccc(C(=O)NCCO)n1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)10-13-5-4-8(14-10)9(16)12-6-7-15/h4-5,15H,6-7H2,1-3H3,(H,12,16)
InChIKeyXGLOEQINQRMMDR-UHFFFAOYSA-N
XLogP0.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylpyrimidin-4-yl)propan-1-one
CID 89014145
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-4-chlorobenzamide
CID 133334324
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309788
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47049468
N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84575194
N-(3-methylbutyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295989

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide (CID 167216038) is 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide is CC(C)(C)c1nccc(C(=O)NCCO)n1.
What is the InChIKey of 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
The InChIKey is XGLOEQINQRMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)10-13-5-4-8(14-10)9(16)12-6-7-15/h4-5,15H,6-7H2,1-3H3,(H,12,16).
What are the key properties of 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide?
2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 167216038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).