2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide

C22H26N6O2 — CID 58082291

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide
SMILESCC(C)c1ncc(NC(=O)c2ccc3cnc(NC4CCC(O)CC4)nc3c2)cn1
InChIInChI=1S/C22H26N6O2/c1-13(2)20-23-11-17(12-24-20)26-21(30)14-3-4-15-10-25-22(28-19(15)9-14)27-16-5-7-18(29)8-6-16/h3-4,9-13,16,18,29H,5-8H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyGVRPETWNQFFNPR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.51
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide (PubChem CID 58082291) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide
PubChem CID58082291
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide
SMILESCC(C)c1ncc(NC(=O)c2ccc3cnc(NC4CCC(O)CC4)nc3c2)cn1
InChIInChI=1S/C22H26N6O2/c1-13(2)20-23-11-17(12-24-20)26-21(30)14-3-4-15-10-25-22(28-19(15)9-14)27-16-5-7-18(29)8-6-16/h3-4,9-13,16,18,29H,5-8H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyGVRPETWNQFFNPR-UHFFFAOYSA-N
XLogP3.51
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide with MolForge

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082378
2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
CID 58082242
2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
CID 58082640
2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
CID 58082159
2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082418
2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide
CID 58082427
N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-(cyclopentylamino)quinazoline-7-carboxamide
CID 58082314
2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
CID 58082625
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
CID 58082649
4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58082320
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide (CID 58082291) is 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide is CC(C)c1ncc(NC(=O)c2ccc3cnc(NC4CCC(O)CC4)nc3c2)cn1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide?
The InChIKey is GVRPETWNQFFNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13(2)20-23-11-17(12-24-20)26-21(30)14-3-4-15-10-25-22(28-19(15)9-14)27-16-5-7-18(29)8-6-16/h3-4,9-13,16,18,29H,5-8H2,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide is sourced from PubChem (CID 58082291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).