4-(4-chloro-3-pyridinyl)pyrimidin-2-amine

C9H7ClN4 — CID 130049220

IUPAC4-(4-chloro-3-pyridinyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cnccc2Cl)n1
InChIInChI=1S/C9H7ClN4/c10-7-1-3-12-5-6(7)8-2-4-13-9(11)14-8/h1-5H,(H2,11,13,14)
InChIKeyNXGFGULZYGKZJO-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.77
Rot. Bonds1

About 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine

4-(4-chloro-3-pyridinyl)pyrimidin-2-amine (PubChem CID 130049220) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-pyridinyl)pyrimidin-2-amine
PubChem CID130049220
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name4-(4-chloro-3-pyridinyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cnccc2Cl)n1
InChIInChI=1S/C9H7ClN4/c10-7-1-3-12-5-6(7)8-2-4-13-9(11)14-8/h1-5H,(H2,11,13,14)
InChIKeyNXGFGULZYGKZJO-UHFFFAOYSA-N
XLogP1.77
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine (CID 130049220) is 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine is Nc1nccc(-c2cnccc2Cl)n1.
What is the InChIKey of 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is NXGFGULZYGKZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c10-7-1-3-12-5-6(7)8-2-4-13-9(11)14-8/h1-5H,(H2,11,13,14).
What are the key properties of 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine?
4-(4-chloro-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 206.64 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 130049220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).