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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Related Compounds

5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
CID 71917007
(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine
CID 99828055
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
1-(3-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285748
2-chloroimidazo[1,2-a]pyrimidine
CID 14517580
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
3-chloro-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837591
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
2-imidazo[1,2-a]pyrimidin-2-ylethanamine;hydrobromide
CID 71756465
3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid
CID 79790769
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
2-[(3-chloroanilino)methyl]quinolin-8-ol
CID 20930675

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).