2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine

C21H21ClN4 — CID 112932996

IUPAC2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
SMILESClc1cccc(CCNc2nc(NC3CC3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21ClN4/c22-17-8-4-5-15(13-17)11-12-23-21-25-19(16-6-2-1-3-7-16)14-20(26-21)24-18-9-10-18/h1-8,13-14,18H,9-12H2,(H2,23,24,25,26)
InChIKeyGJAVNXVWAKLSAH-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.03
Rot. Bonds7

About 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine

2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112932996) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112932996
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
SMILESClc1cccc(CCNc2nc(NC3CC3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21ClN4/c22-17-8-4-5-15(13-17)11-12-23-21-25-19(16-6-2-1-3-7-16)14-20(26-21)24-18-9-10-18/h1-8,13-14,18H,9-12H2,(H2,23,24,25,26)
InChIKeyGJAVNXVWAKLSAH-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
5-N-[2-(3-chlorophenyl)ethyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941693
2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112933130
4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112932942
6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
N-(2-aminophenyl)-4-[[[4-[2-(3-chlorophenyl)ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 20786062
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932953
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952828
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine (CID 112932996) is 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine is Clc1cccc(CCNc2nc(NC3CC3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is GJAVNXVWAKLSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c22-17-8-4-5-15(13-17)11-12-23-21-25-19(16-6-2-1-3-7-16)14-20(26-21)24-18-9-10-18/h1-8,13-14,18H,9-12H2,(H2,23,24,25,26).
What are the key properties of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine?
2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 364.88 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 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-cyclopropyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).