N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide

C16H15N5O — CID 140575351

IUPACN-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2cccc3cncnc23)nc1
InChIInChI=1S/C16H15N5O/c1-10(2)12-7-18-16(19-8-12)21-15(22)13-5-3-4-11-6-17-9-20-14(11)13/h3-10H,1-2H3,(H,18,19,21,22)
InChIKeyARXDFRPJZDIXLZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.80
Rot. Bonds3

About N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide

N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide (PubChem CID 140575351) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide
PubChem CID140575351
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2cccc3cncnc23)nc1
InChIInChI=1S/C16H15N5O/c1-10(2)12-7-18-16(19-8-12)21-15(22)13-5-3-4-11-6-17-9-20-14(11)13/h3-10H,1-2H3,(H,18,19,21,22)
InChIKeyARXDFRPJZDIXLZ-UHFFFAOYSA-N
XLogP2.80
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-quinazolin-8-ylethanone
CID 133054945
N-(1-pyrimidin-4-ylethyl)quinazoline-8-carboxamide
CID 140575340
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide
CID 175774324
N-(5-propan-2-ylpyrimidin-2-yl)acetamide
CID 58015222
N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide
CID 140575355
N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide
CID 90701800
hydron;quinazolin-8-yl acetate
CID 174628972
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-(4-methylpyrimidin-5-yl)-2-propan-2-yloxybenzamide
CID 167770300
N-(2-methylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949075
quinazoline-8-sulfinic acid
CID 57009090

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide?
The IUPAC name of N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide (CID 140575351) is N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide.
What is the SMILES notation for N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide?
The canonical SMILES for N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide is CC(C)c1cnc(NC(=O)c2cccc3cncnc23)nc1.
What is the InChIKey of N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide?
The InChIKey is ARXDFRPJZDIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10(2)12-7-18-16(19-8-12)21-15(22)13-5-3-4-11-6-17-9-20-14(11)13/h3-10H,1-2H3,(H,18,19,21,22).
What are the key properties of N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide?
N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylpyrimidin-2-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 140575351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).