2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C18H19ClN6 — CID 70691735

IUPAC2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESClc1ccccc1CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C18H19ClN6/c19-14-4-2-1-3-12(14)7-9-20-18-21-10-8-16(23-18)22-17-11-15(24-25-17)13-5-6-13/h1-4,8,10-11,13H,5-7,9H2,(H3,20,21,22,23,24,25)
InChIKeyUEQIBRYPDWTFJX-UHFFFAOYSA-N
MW354.85 g/mol
LogP4.13
Rot. Bonds7

About 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 70691735) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID70691735
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESClc1ccccc1CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C18H19ClN6/c19-14-4-2-1-3-12(14)7-9-20-18-21-10-8-16(23-18)22-17-11-15(24-25-17)13-5-6-13/h1-4,8,10-11,13H,5-7,9H2,(H3,20,21,22,23,24,25)
InChIKeyUEQIBRYPDWTFJX-UHFFFAOYSA-N
XLogP4.13
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 70691735) is 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Clc1ccccc1CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is UEQIBRYPDWTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c19-14-4-2-1-3-12(14)7-9-20-18-21-10-8-16(23-18)22-17-11-15(24-25-17)13-5-6-13/h1-4,8,10-11,13H,5-7,9H2,(H3,20,21,22,23,24,25).
What are the key properties of 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 354.85 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-chlorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 70691735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).