4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine

C8H8ClN5 — CID 80735426

IUPAC4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1nccn1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C8H8ClN5/c1-5-11-2-3-14(5)7-4-6(9)12-8(10)13-7/h2-4H,1H3,(H2,10,12,13)
InChIKeyHERZHTVQOSIWLQ-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.21
Rot. Bonds1

About 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine

4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 80735426) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine
PubChem CID80735426
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1nccn1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C8H8ClN5/c1-5-11-2-3-14(5)7-4-6(9)12-8(10)13-7/h2-4H,1H3,(H2,10,12,13)
InChIKeyHERZHTVQOSIWLQ-UHFFFAOYSA-N
XLogP1.21
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine (CID 80735426) is 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine is Cc1nccn1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is HERZHTVQOSIWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-5-11-2-3-14(5)7-4-6(9)12-8(10)13-7/h2-4H,1H3,(H2,10,12,13).
What are the key properties of 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine?
4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80735426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).