3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

C15H15ClN4 — CID 62404576

IUPAC3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1cc2ncc(CNc3cccc(Cl)c3C)cn2n1
InChIInChI=1S/C15H15ClN4/c1-10-6-15-18-8-12(9-20(15)19-10)7-17-14-5-3-4-13(16)11(14)2/h3-6,8-9,17H,7H2,1-2H3
InChIKeyJTNZQVBQMKGGAH-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.61
Rot. Bonds3

About 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (PubChem CID 62404576) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
PubChem CID62404576
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1cc2ncc(CNc3cccc(Cl)c3C)cn2n1
InChIInChI=1S/C15H15ClN4/c1-10-6-15-18-8-12(9-20(15)19-10)7-17-14-5-3-4-13(16)11(14)2/h3-6,8-9,17H,7H2,1-2H3
InChIKeyJTNZQVBQMKGGAH-UHFFFAOYSA-N
XLogP3.61
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]phenyl]methanol
CID 63783870
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403520
2-ethoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyridin-3-amine
CID 63783015
2,4,5-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63783538
4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403164
3-chloro-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760794
5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934149
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine
CID 115600931
(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 81354135
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
CID 62405315

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The IUPAC name of 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (CID 62404576) is 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The canonical SMILES for 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is Cc1cc2ncc(CNc3cccc(Cl)c3C)cn2n1.
What is the InChIKey of 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The InChIKey is JTNZQVBQMKGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-6-15-18-8-12(9-20(15)19-10)7-17-14-5-3-4-13(16)11(14)2/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline has a molecular weight of 286.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is sourced from PubChem (CID 62404576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).