2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C18H24ClN5O — CID 112913213

IUPAC2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN2CCOCC2)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C18H24ClN5O/c1-13-11-15(19)3-4-16(13)22-18-21-14(2)12-17(23-18)20-5-6-24-7-9-25-10-8-24/h3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyYMALDWRLJJTORU-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.23
Rot. Bonds6

About 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112913213) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112913213
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN2CCOCC2)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C18H24ClN5O/c1-13-11-15(19)3-4-16(13)22-18-21-14(2)12-17(23-18)20-5-6-24-7-9-25-10-8-24/h3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyYMALDWRLJJTORU-UHFFFAOYSA-N
XLogP3.23
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913408
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
2-N-(2-bromophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913247
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913369
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112913267
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112913352
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112913213) is 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(NCCN2CCOCC2)nc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is YMALDWRLJJTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-13-11-15(19)3-4-16(13)22-18-21-14(2)12-17(23-18)20-5-6-24-7-9-25-10-8-24/h3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 361.88 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112913213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).