2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine

C13H10ClN5 — CID 170312573

IUPAC2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine
SMILESClc1nccc(Nc2ccc(-c3cnc[nH]3)cc2)n1
InChIInChI=1S/C13H10ClN5/c14-13-16-6-5-12(19-13)18-10-3-1-9(2-4-10)11-7-15-8-17-11/h1-8H,(H,15,17)(H,16,18,19)
InChIKeyGTFDOZJYRWKRJW-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine

2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 170312573) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID170312573
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine
SMILESClc1nccc(Nc2ccc(-c3cnc[nH]3)cc2)n1
InChIInChI=1S/C13H10ClN5/c14-13-16-6-5-12(19-13)18-10-3-1-9(2-4-10)11-7-15-8-17-11/h1-8H,(H,15,17)(H,16,18,19)
InChIKeyGTFDOZJYRWKRJW-UHFFFAOYSA-N
XLogP3.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine (CID 170312573) is 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine is Clc1nccc(Nc2ccc(-c3cnc[nH]3)cc2)n1.
What is the InChIKey of 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is GTFDOZJYRWKRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-13-16-6-5-12(19-13)18-10-3-1-9(2-4-10)11-7-15-8-17-11/h1-8H,(H,15,17)(H,16,18,19).
What are the key properties of 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine?
2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 271.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 170312573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).