N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine

C9H12ClN3 — CID 65033600

IUPACN-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine
SMILESClC(CNc1ncccn1)C1CC1
InChIInChI=1S/C9H12ClN3/c10-8(7-2-3-7)6-13-9-11-4-1-5-12-9/h1,4-5,7-8H,2-3,6H2,(H,11,12,13)
InChIKeyDNAUHNPSLBTIQZ-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.91
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine

N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine (PubChem CID 65033600) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine
PubChem CID65033600
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine
SMILESClC(CNc1ncccn1)C1CC1
InChIInChI=1S/C9H12ClN3/c10-8(7-2-3-7)6-13-9-11-4-1-5-12-9/h1,4-5,7-8H,2-3,6H2,(H,11,12,13)
InChIKeyDNAUHNPSLBTIQZ-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine (CID 65033600) is N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine is ClC(CNc1ncccn1)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine?
The InChIKey is DNAUHNPSLBTIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8(7-2-3-7)6-13-9-11-4-1-5-12-9/h1,4-5,7-8H,2-3,6H2,(H,11,12,13).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine?
N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine is sourced from PubChem (CID 65033600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).