N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C15H17ClN4O — CID 697262

IUPACN-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17ClN4O/c1-11-9-14(18-13-4-2-3-12(16)10-13)19-15(17-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeyVPEKHAIWJAAOMV-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.02
Rot. Bonds3

About N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 697262) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID697262
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17ClN4O/c1-11-9-14(18-13-4-2-3-12(16)10-13)19-15(17-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeyVPEKHAIWJAAOMV-UHFFFAOYSA-N
XLogP3.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 697262) is N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is VPEKHAIWJAAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-11-9-14(18-13-4-2-3-12(16)10-13)19-15(17-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19).
What are the key properties of N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 304.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 697262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).