2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine

C15H17ClN4 — CID 112882257

IUPAC2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine
SMILESClc1ccc(CCNc2nccc(NC3CC3)n2)cc1
InChIInChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)7-9-17-15-18-10-8-14(20-15)19-13-5-6-13/h1-4,8,10,13H,5-7,9H2,(H2,17,18,19,20)
InChIKeyMRIMWWXGWLEOHH-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.36
Rot. Bonds6

About 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine

2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine (PubChem CID 112882257) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine
PubChem CID112882257
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine
SMILESClc1ccc(CCNc2nccc(NC3CC3)n2)cc1
InChIInChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)7-9-17-15-18-10-8-14(20-15)19-13-5-6-13/h1-4,8,10,13H,5-7,9H2,(H2,17,18,19,20)
InChIKeyMRIMWWXGWLEOHH-UHFFFAOYSA-N
XLogP3.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(4-chlorophenyl)ethyl]-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 112895827
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112897132
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
2-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887000
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891919
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891261
6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
4-N-cycloheptyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895253
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine (CID 112882257) is 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine is Clc1ccc(CCNc2nccc(NC3CC3)n2)cc1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine?
The InChIKey is MRIMWWXGWLEOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)7-9-17-15-18-10-8-14(20-15)19-13-5-6-13/h1-4,8,10,13H,5-7,9H2,(H2,17,18,19,20).
What are the key properties of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine?
2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine has a molecular weight of 288.78 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).