N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C16H19ClN4O2 — CID 22732437

IUPACN-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Cl)c(Nc2cc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-15(19-14-10-12(22-2)3-4-13(14)17)20-16(18-11)21-5-7-23-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyQPEHIFMXBFOXPR-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.03
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 22732437) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID22732437
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Cl)c(Nc2cc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-15(19-14-10-12(22-2)3-4-13(14)17)20-16(18-11)21-5-7-23-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyQPEHIFMXBFOXPR-UHFFFAOYSA-N
XLogP3.03
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10110345
4-(2-Chloro-5-methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10177828
1-(2-Chloro-5-methoxyphenyl)-3-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 56594743
1-(2,6-Dichloro-3-methoxyphenyl)-3-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 56594744
3-(2,6-Dichloro-3-methoxy-phenyl)-1-methyl-1-(6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl)-urea
CID 56594745
1-(2,6-Dichlorophenyl)-3-[6-(2,5-dimethoxyanilino)pyrimidin-4-yl]urea
CID 149611945
N2-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-6-methyl-pyrimidine-2,4-diamine
CID 15956131
6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 44526614
2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
CID 44526622
6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 44526623
N4-(2-morpholinoethyl)-N6-(3-(trifluoromethoxy)phenyl)pyrimidine-4,6-diamine
CID 49781432
4-(4-chlorophenyl)-6-(3-methoxypiperidin-1-yl)-N-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-amine
CID 72194688

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 22732437) is N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(Cl)c(Nc2cc(C)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is QPEHIFMXBFOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-9-15(19-14-10-12(22-2)3-4-13(14)17)20-16(18-11)21-5-7-23-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 334.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 22732437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).