5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine

C14H17ClN4O — CID 80826861

IUPAC5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCOc1ccc(Nc2nc(NC)ncc2Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-3-8-20-11-6-4-10(5-7-11)18-13-12(15)9-17-14(16-2)19-13/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyZWLHWJJOWZREBA-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.70
Rot. Bonds6

About 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 80826861) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
PubChem CID80826861
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCOc1ccc(Nc2nc(NC)ncc2Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-3-8-20-11-6-4-10(5-7-11)18-13-12(15)9-17-14(16-2)19-13/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyZWLHWJJOWZREBA-UHFFFAOYSA-N
XLogP3.70
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
6-methoxy-4-N-methyl-2-N-(4-propoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80799796
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760907
4-N-(3-bromo-5-methoxyphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 82861319
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine (CID 80826861) is 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine is CCCOc1ccc(Nc2nc(NC)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZWLHWJJOWZREBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-8-20-11-6-4-10(5-7-11)18-13-12(15)9-17-14(16-2)19-13/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80826861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).