4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine

C24H22ClN5 — CID 58617520

IUPAC4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCN(c1cccc(-c2ccc(Cl)cc2)n1)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C24H22ClN5/c1-30(22-9-5-8-21(28-22)19-10-12-20(25)13-11-19)23-15-17-27-24(29-23)26-16-14-18-6-3-2-4-7-18/h2-13,15,17H,14,16H2,1H3,(H,26,27,29)
InChIKeySRFJEQJMBQBOPN-UHFFFAOYSA-N
MW415.93 g/mol
LogP5.61
Rot. Bonds7

About 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine

4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 58617520) has the molecular formula C24H22ClN5 and a molecular weight of 415.93 g/mol. Its IUPAC name is 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID58617520
Molecular FormulaC24H22ClN5
Molecular Weight415.93 g/mol
Exact Mass415.16
IUPAC Name4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCN(c1cccc(-c2ccc(Cl)cc2)n1)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C24H22ClN5/c1-30(22-9-5-8-21(28-22)19-10-12-20(25)13-11-19)23-15-17-27-24(29-23)26-16-14-18-6-3-2-4-7-18/h2-13,15,17H,14,16H2,1H3,(H,26,27,29)
InChIKeySRFJEQJMBQBOPN-UHFFFAOYSA-N
XLogP5.61
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.93
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442
4-N-methyl-2-N-(2-phenylethyl)-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 11511463
2-N-[2-(2-chlorophenyl)ethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 11553475
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564
2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
2-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887000
2-N-[2-(4-chlorophenyl)ethyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112922674
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one
CID 143209411
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112897132

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 58617520) is 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is CN(c1cccc(-c2ccc(Cl)cc2)n1)c1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is SRFJEQJMBQBOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5/c1-30(22-9-5-8-21(28-22)19-10-12-20(25)13-11-19)23-15-17-27-24(29-23)26-16-14-18-6-3-2-4-7-18/h2-13,15,17H,14,16H2,1H3,(H,26,27,29).
What are the key properties of 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 415.93 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58617520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).