2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C14H21ClN4 — CID 165402278

IUPAC2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESClc1ncc(C2CC2)c(NCCCN2CCCC2)n1
InChIInChI=1S/C14H21ClN4/c15-14-17-10-12(11-4-5-11)13(18-14)16-6-3-9-19-7-1-2-8-19/h10-11H,1-9H2,(H,16,17,18)
InChIKeyZMVCGTBTOQXZEO-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.91
Rot. Bonds6

About 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 165402278) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID165402278
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESClc1ncc(C2CC2)c(NCCCN2CCCC2)n1
InChIInChI=1S/C14H21ClN4/c15-14-17-10-12(11-4-5-11)13(18-14)16-6-3-9-19-7-1-2-8-19/h10-11H,1-9H2,(H,16,17,18)
InChIKeyZMVCGTBTOQXZEO-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 165402278) is 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is Clc1ncc(C2CC2)c(NCCCN2CCCC2)n1.
What is the InChIKey of 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is ZMVCGTBTOQXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c15-14-17-10-12(11-4-5-11)13(18-14)16-6-3-9-19-7-1-2-8-19/h10-11H,1-9H2,(H,16,17,18).
What are the key properties of 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 280.80 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 165402278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).