5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine

C9H12ClN3 — CID 103724840

IUPAC5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine
SMILESCCC1CC1Nc1ncc(Cl)cn1
InChIInChI=1S/C9H12ClN3/c1-2-6-3-8(6)13-9-11-4-7(10)5-12-9/h4-6,8H,2-3H2,1H3,(H,11,12,13)
InChIKeyPXLZLJQWYYKQEU-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.34
Rot. Bonds3

About 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine

5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine (PubChem CID 103724840) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine
PubChem CID103724840
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine
SMILESCCC1CC1Nc1ncc(Cl)cn1
InChIInChI=1S/C9H12ClN3/c1-2-6-3-8(6)13-9-11-4-7(10)5-12-9/h4-6,8H,2-3H2,1H3,(H,11,12,13)
InChIKeyPXLZLJQWYYKQEU-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine (CID 103724840) is 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine is CCC1CC1Nc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine?
The InChIKey is PXLZLJQWYYKQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-6-3-8(6)13-9-11-4-7(10)5-12-9/h4-6,8H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine?
5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 103724840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).