5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine

C23H28N6O — CID 130446795

IUPAC5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine
SMILESCc1c(-c2cncnc2)ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C23H28N6O/c1-16-20(17-12-24-14-25-13-17)6-7-21-22(16)23(27-15-26-21)28-18-2-4-19(5-3-18)29-8-10-30-11-9-29/h6-7,12-15,18-19H,2-5,8-11H2,1H3,(H,26,27,28)
InChIKeyMVKNDKYACXJWNK-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.45
Rot. Bonds4

About 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine

5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine (PubChem CID 130446795) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine
PubChem CID130446795
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine
SMILESCc1c(-c2cncnc2)ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C23H28N6O/c1-16-20(17-12-24-14-25-13-17)6-7-21-22(16)23(27-15-26-21)28-18-2-4-19(5-3-18)29-8-10-30-11-9-29/h6-7,12-15,18-19H,2-5,8-11H2,1H3,(H,26,27,28)
InChIKeyMVKNDKYACXJWNK-UHFFFAOYSA-N
XLogP3.45
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine with MolForge

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Related Compounds

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CID 59239114
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
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CID 2971918
CID 2971918
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
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CID 70702306
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CID 9983112

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine (CID 130446795) is 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine is Cc1c(-c2cncnc2)ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c12.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine?
The InChIKey is MVKNDKYACXJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16-20(17-12-24-14-25-13-17)6-7-21-22(16)23(27-15-26-21)28-18-2-4-19(5-3-18)29-8-10-30-11-9-29/h6-7,12-15,18-19H,2-5,8-11H2,1H3,(H,26,27,28).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine?
5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylcyclohexyl)-6-pyrimidin-5-ylquinazolin-4-amine is sourced from PubChem (CID 130446795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).