N-propan-2-yl-2H-pyrimidine-1-carboxamide

C8H13N3O — CID 140574578

IUPACN-propan-2-yl-2H-pyrimidine-1-carboxamide
SMILESCC(C)NC(=O)N1C=CC=NC1
InChIInChI=1S/C8H13N3O/c1-7(2)10-8(12)11-5-3-4-9-6-11/h3-5,7H,6H2,1-2H3,(H,10,12)
InChIKeyBGQSRSYMRRNCQW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds1

About N-propan-2-yl-2H-pyrimidine-1-carboxamide

N-propan-2-yl-2H-pyrimidine-1-carboxamide (PubChem CID 140574578) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-propan-2-yl-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2H-pyrimidine-1-carboxamide
PubChem CID140574578
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-propan-2-yl-2H-pyrimidine-1-carboxamide
SMILESCC(C)NC(=O)N1C=CC=NC1
InChIInChI=1S/C8H13N3O/c1-7(2)10-8(12)11-5-3-4-9-6-11/h3-5,7H,6H2,1-2H3,(H,10,12)
InChIKeyBGQSRSYMRRNCQW-UHFFFAOYSA-N
XLogP0.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Isopropyl-pyrimidin-2(1H)-one
CID 566427
Pyrimidine, 1-sec-butyl-1,2-dihydro-2-oxo-
CID 66921962
N-methyl formamidopyrimidine
CID 129691265
6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one
CID 18683086
3-methyl-1H-pyrimidin-3-ium-2-one
CID 21820078
1-Methyl-3-propan-2-ylpyrimidin-1-ium-2-one
CID 21828715
N-pentyl-2H-pyrimidine-1-carboxamide
CID 66955321
6-[[(Z)-prop-1-enyl]amino]-1H-pyrimidin-2-one
CID 68407489
6-(prop-1-enylamino)-1H-pyrimidin-2-one
CID 68407491
N-(3-bromopropyl)-2H-pyrimidine-1-carboxamide
CID 69700970
N-tert-butyl-2H-pyrimidine-1-carboxamide
CID 69797082
6-(propan-2-ylamino)-1H-pyrimidin-2-one
CID 69970268

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-2H-pyrimidine-1-carboxamide (CID 140574578) is N-propan-2-yl-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-2H-pyrimidine-1-carboxamide is CC(C)NC(=O)N1C=CC=NC1.
What is the InChIKey of N-propan-2-yl-2H-pyrimidine-1-carboxamide?
The InChIKey is BGQSRSYMRRNCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(2)10-8(12)11-5-3-4-9-6-11/h3-5,7H,6H2,1-2H3,(H,10,12).
What are the key properties of N-propan-2-yl-2H-pyrimidine-1-carboxamide?
N-propan-2-yl-2H-pyrimidine-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 140574578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).