N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide

C21H24N6O2 — CID 58082203

IUPACN-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
SMILESCc1cc(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)nc(C)n1
InChIInChI=1S/C21H24N6O2/c1-12-10-18(24-13(2)23-12)26-20(29)17-5-3-4-14-11-22-21(27-19(14)17)25-15-6-8-16(28)9-7-15/h3-5,10-11,15-16,28H,6-9H2,1-2H3,(H,22,25,27)(H,23,24,26,29)
InChIKeyORACKSZDCBRXPI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.00
Rot. Bonds4

About N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide

N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide (PubChem CID 58082203) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
PubChem CID58082203
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
SMILESCc1cc(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)nc(C)n1
InChIInChI=1S/C21H24N6O2/c1-12-10-18(24-13(2)23-12)26-20(29)17-5-3-4-14-11-22-21(27-19(14)17)25-15-6-8-16(28)9-7-15/h3-5,10-11,15-16,28H,6-9H2,1-2H3,(H,22,25,27)(H,23,24,26,29)
InChIKeyORACKSZDCBRXPI-UHFFFAOYSA-N
XLogP3.00
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide with MolForge

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082546
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyrazol-1-ylpropan-2-yl)quinazoline-8-carboxamide
CID 58082595
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082639
2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
CID 58082154
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-2-hydroxy-2-phenylethyl]quinazoline-8-carboxamide
CID 58082372
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide
CID 58082700
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082318
N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide
CID 67337132
2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
CID 71159589
4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58829507
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide
CID 58082427

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
The IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide (CID 58082203) is N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide.
What is the SMILES notation for N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
The canonical SMILES for N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide is Cc1cc(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)nc(C)n1.
What is the InChIKey of N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
The InChIKey is ORACKSZDCBRXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-12-10-18(24-13(2)23-12)26-20(29)17-5-3-4-14-11-22-21(27-19(14)17)25-15-6-8-16(28)9-7-15/h3-5,10-11,15-16,28H,6-9H2,1-2H3,(H,22,25,27)(H,23,24,26,29).
What are the key properties of N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide is sourced from PubChem (CID 58082203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).