2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

C19H19ClN4O — CID 112894006

IUPAC2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(NCCc3ccccc3)n2)cc1Cl
InChIInChI=1S/C19H19ClN4O/c1-25-17-8-7-15(13-16(17)20)23-19-22-12-10-18(24-19)21-11-9-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24)
InChIKeyAMAUCFUNNMKIIJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.54
Rot. Bonds7

About 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112894006) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112894006
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(NCCc3ccccc3)n2)cc1Cl
InChIInChI=1S/C19H19ClN4O/c1-25-17-8-7-15(13-16(17)20)23-19-22-12-10-18(24-19)21-11-9-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24)
InChIKeyAMAUCFUNNMKIIJ-UHFFFAOYSA-N
XLogP4.54
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894846
2-N-(3-chloro-4-methoxyphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882580
2-N-(4-tert-butylphenyl)-4-N-(3-chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903407
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897068
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892955
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112901406
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(3-chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112892719
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904305
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112904304
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112904331
2-N-(3-fluorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895437
4-N-[2-(3-fluorophenyl)ethyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 69185641

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112894006) is 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nccc(NCCc3ccccc3)n2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is AMAUCFUNNMKIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-25-17-8-7-15(13-16(17)20)23-19-22-12-10-18(24-19)21-11-9-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 354.84 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112894006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).