3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline

C13H11ClN4 — CID 705362

IUPAC3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
SMILESClc1cccc(NCc2cn3cccnc3n2)c1
InChIInChI=1S/C13H11ClN4/c14-10-3-1-4-11(7-10)16-8-12-9-18-6-2-5-15-13(18)17-12/h1-7,9,16H,8H2
InChIKeyKYISUYUYLNWTFF-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.99
Rot. Bonds3

About 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline

3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline (PubChem CID 705362) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
PubChem CID705362
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
SMILESClc1cccc(NCc2cn3cccnc3n2)c1
InChIInChI=1S/C13H11ClN4/c14-10-3-1-4-11(7-10)16-8-12-9-18-6-2-5-15-13(18)17-12/h1-7,9,16H,8H2
InChIKeyKYISUYUYLNWTFF-UHFFFAOYSA-N
XLogP2.99
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline (CID 705362) is 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline is Clc1cccc(NCc2cn3cccnc3n2)c1.
What is the InChIKey of 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
The InChIKey is KYISUYUYLNWTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-10-3-1-4-11(7-10)16-8-12-9-18-6-2-5-15-13(18)17-12/h1-7,9,16H,8H2.
What are the key properties of 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline has a molecular weight of 258.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 705362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).