2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

C19H19ClN4 — CID 112901442

IUPAC2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN4/c1-24(17-8-3-2-4-9-17)18-11-13-22-19(23-18)21-12-10-15-6-5-7-16(20)14-15/h2-9,11,13-14H,10,12H2,1H3,(H,21,22,23)
InChIKeyUOPXQIRYYOSBTM-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.55
Rot. Bonds6

About 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112901442) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112901442
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN4/c1-24(17-8-3-2-4-9-17)18-11-13-22-19(23-18)21-12-10-15-6-5-7-16(20)14-15/h2-9,11,13-14H,10,12H2,1H3,(H,21,22,23)
InChIKeyUOPXQIRYYOSBTM-UHFFFAOYSA-N
XLogP4.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564
4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 58617520
2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
4-N-methyl-2-N-(2-phenylethyl)-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 11511463
N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 112884508
4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112895278
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
2-N-[2-(4-chlorophenyl)ethyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112922674
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901460
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901462
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891919

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 112901442) is 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is CN(c1ccccc1)c1ccnc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is UOPXQIRYYOSBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-24(17-8-3-2-4-9-17)18-11-13-22-19(23-18)21-12-10-15-6-5-7-16(20)14-15/h2-9,11,13-14H,10,12H2,1H3,(H,21,22,23).
What are the key properties of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).