4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

C14H17ClN4 — CID 107638886

IUPAC4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2cc(C)ccc2Cl)n1
InChIInChI=1S/C14H17ClN4/c1-4-16-14-17-10(3)8-13(19-14)18-12-7-9(2)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyRDUOCERBUMXWNV-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.92
Rot. Bonds4

About 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 107638886) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID107638886
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2cc(C)ccc2Cl)n1
InChIInChI=1S/C14H17ClN4/c1-4-16-14-17-10(3)8-13(19-14)18-12-7-9(2)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyRDUOCERBUMXWNV-UHFFFAOYSA-N
XLogP3.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-(2-chloro-5-methylphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107638979
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
4-N-(2,5-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925567
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928067
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916535
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
1-(2-chlorophenyl)-3-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]urea
CID 53047962
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788165
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919984
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (CID 107638886) is 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is CCNc1nc(C)cc(Nc2cc(C)ccc2Cl)n1.
What is the InChIKey of 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is RDUOCERBUMXWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-4-16-14-17-10(3)8-13(19-14)18-12-7-9(2)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 107638886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).