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

C16H19ClN4O — CID 921268

IUPACN-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19ClN4O/c1-11-3-4-13(10-14(11)17)19-15-9-12(2)18-16(20-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeySQBJBIZLVOLNJO-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.33
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 921268) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID921268
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19ClN4O/c1-11-3-4-13(10-14(11)17)19-15-9-12(2)18-16(20-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeySQBJBIZLVOLNJO-UHFFFAOYSA-N
XLogP3.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 921268) is N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SQBJBIZLVOLNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-3-4-13(10-14(11)17)19-15-9-12(2)18-16(20-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 318.81 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 921268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).