N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide

C15H13N5O — CID 140575340

IUPACN-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide
SMILESCC(NC(=O)c1cccc2cncnc12)c1ccncn1
InChIInChI=1S/C15H13N5O/c1-10(13-5-6-16-8-18-13)20-15(21)12-4-2-3-11-7-17-9-19-14(11)12/h2-10H,1H3,(H,20,21)
InChIKeyJNTVZODZJSKFAC-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.91
Rot. Bonds3

About N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide

N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide (PubChem CID 140575340) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide
PubChem CID140575340
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide
SMILESCC(NC(=O)c1cccc2cncnc12)c1ccncn1
InChIInChI=1S/C15H13N5O/c1-10(13-5-6-16-8-18-13)20-15(21)12-4-2-3-11-7-17-9-19-14(11)12/h2-10H,1H3,(H,20,21)
InChIKeyJNTVZODZJSKFAC-UHFFFAOYSA-N
XLogP1.91
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide
CID 140575351
1-quinazolin-8-ylethanone
CID 133054945
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
3-naphthalen-1-yl-N-(1-pyrimidin-4-ylethyl)prop-2-ynamide
CID 45246114
2-(2-aminopyrimidin-5-yl)-7,8-dimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-4-carboxamide
CID 46986988
N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide
CID 140575355
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
2-[(4-fluorophenoxy)methyl]-6-oxo-N-(1-pyrimidin-4-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70748741
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide?
The IUPAC name of N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide (CID 140575340) is N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide.
What is the SMILES notation for N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide?
The canonical SMILES for N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide is CC(NC(=O)c1cccc2cncnc12)c1ccncn1.
What is the InChIKey of N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide?
The InChIKey is JNTVZODZJSKFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10(13-5-6-16-8-18-13)20-15(21)12-4-2-3-11-7-17-9-19-14(11)12/h2-10H,1H3,(H,20,21).
What are the key properties of N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide?
N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide is sourced from PubChem (CID 140575340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).