4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

C17H24ClN5 — CID 158895162

IUPAC4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1nc(C)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H24ClN5/c1-4-23(5-2)11-10-19-17-20-13(3)12-16(22-17)21-15-8-6-14(18)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyJESYOSDAJQQJQZ-UHFFFAOYSA-N
MW333.87 g/mol
LogP3.94
Rot. Bonds8

About 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 158895162) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID158895162
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1nc(C)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H24ClN5/c1-4-23(5-2)11-10-19-17-20-13(3)12-16(22-17)21-15-8-6-14(18)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyJESYOSDAJQQJQZ-UHFFFAOYSA-N
XLogP3.94
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
4-N-(4-chlorophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907997
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
CID 91441465
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-N-(4-chlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920686
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
4-[[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194294
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927340
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]amino]benzoate
CID 112913096
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913100

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (CID 158895162) is 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is CCN(CC)CCNc1nc(C)cc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is JESYOSDAJQQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c1-4-23(5-2)11-10-19-17-20-13(3)12-16(22-17)21-15-8-6-14(18)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 333.87 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 158895162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).