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

C15H17ClN4O — CID 112869918

IUPACN-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cccc(Cl)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H17ClN4O/c1-11-17-14(19-13-4-2-3-12(16)9-13)10-15(18-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeyQTHXERXKIQILOG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.02
Rot. Bonds3

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

N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112869918) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID112869918
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cccc(Cl)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H17ClN4O/c1-11-17-14(19-13-4-2-3-12(16)9-13)10-15(18-11)20-5-7-21-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)
InChIKeyQTHXERXKIQILOG-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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Related Compounds

N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
N-(3-chlorophenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875542
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297405
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947
N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869966
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580
N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride
CID 121292740
1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674637
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
1-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 70674867
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine (CID 112869918) is N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine is Cc1nc(Nc2cccc(Cl)c2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is QTHXERXKIQILOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-11-17-14(19-13-4-2-3-12(16)9-13)10-15(18-11)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)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
N-(3-chlorophenyl)-2-methyl-6-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)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112869918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).