4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

C21H29N3O2 — CID 46240185

IUPAC4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCC(C)CC2)ncc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H29N3O2/c1-14(2)26-18-11-7-16(8-12-18)19-13-22-21(24-20(19)25-4)23-17-9-5-15(3)6-10-17/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,22,23,24)
InChIKeyFUFWHSLIBKYXBR-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.93
Rot. Bonds6

About 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (PubChem CID 46240185) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
PubChem CID46240185
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCC(C)CC2)ncc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H29N3O2/c1-14(2)26-18-11-7-16(8-12-18)19-13-22-21(24-20(19)25-4)23-17-9-5-15(3)6-10-17/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,22,23,24)
InChIKeyFUFWHSLIBKYXBR-UHFFFAOYSA-N
XLogP4.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (CID 46240185) is 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is COc1nc(NC2CCC(C)CC2)ncc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is FUFWHSLIBKYXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14(2)26-18-11-7-16(8-12-18)19-13-22-21(24-20(19)25-4)23-17-9-5-15(3)6-10-17/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,22,23,24).
What are the key properties of 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 355.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46240185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).