5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine

C15H14ClN5 — CID 75376384

IUPAC5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine
SMILESClc1cnc(NC(Cn2cccn2)c2ccccc2)nc1
InChIInChI=1S/C15H14ClN5/c16-13-9-17-15(18-10-13)20-14(11-21-8-4-7-19-21)12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18,20)
InChIKeyGDDULSDRBWZDRO-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.18
Rot. Bonds5

About 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine

5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine (PubChem CID 75376384) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine
PubChem CID75376384
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine
SMILESClc1cnc(NC(Cn2cccn2)c2ccccc2)nc1
InChIInChI=1S/C15H14ClN5/c16-13-9-17-15(18-10-13)20-14(11-21-8-4-7-19-21)12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18,20)
InChIKeyGDDULSDRBWZDRO-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine (CID 75376384) is 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine is Clc1cnc(NC(Cn2cccn2)c2ccccc2)nc1.
What is the InChIKey of 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The InChIKey is GDDULSDRBWZDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-13-9-17-15(18-10-13)20-14(11-21-8-4-7-19-21)12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18,20).
What are the key properties of 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine?
5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 75376384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).