2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine

C9H11Cl2N3 — CID 89032813

IUPAC2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(Cl)nc1NC1CC1
InChIInChI=1S/C9H11Cl2N3/c1-2-6-7(10)13-9(11)14-8(6)12-5-3-4-5/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyDMXSNCNURXGVIU-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.92
Rot. Bonds3

About 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine

2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine (PubChem CID 89032813) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
PubChem CID89032813
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(Cl)nc1NC1CC1
InChIInChI=1S/C9H11Cl2N3/c1-2-6-7(10)13-9(11)14-8(6)12-5-3-4-5/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyDMXSNCNURXGVIU-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine (CID 89032813) is 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine is CCc1c(Cl)nc(Cl)nc1NC1CC1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The InChIKey is DMXSNCNURXGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-2-6-7(10)13-9(11)14-8(6)12-5-3-4-5/h5H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine has a molecular weight of 232.11 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 89032813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).