2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C15H14N6S — CID 21034764

IUPAC2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2cc(C)nn2c(NCc2ccncc2)c1C#N
InChIInChI=1S/C15H14N6S/c1-10-7-13-19-15(22-2)12(8-16)14(21(13)20-10)18-9-11-3-5-17-6-4-11/h3-7,18H,9H2,1-2H3
InChIKeyZWPGQCJHGCARGQ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 21034764) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID21034764
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2cc(C)nn2c(NCc2ccncc2)c1C#N
InChIInChI=1S/C15H14N6S/c1-10-7-13-19-15(22-2)12(8-16)14(21(13)20-10)18-9-11-3-5-17-6-4-11/h3-7,18H,9H2,1-2H3
InChIKeyZWPGQCJHGCARGQ-UHFFFAOYSA-N
XLogP2.64
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034639
7-(3-cyanoanilino)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034608
7-(benzylamino)-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034644
7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819133
5-methylsulfanyl-7-(phenylmethoxymethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034666
7-(benzylamino)-5-benzylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034645
7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
CID 158886833
5-methylsulfanyl-6-methylsulfonyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21034754
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
2-methyl-4-(pyridin-4-ylmethylamino)benzonitrile
CID 81274455
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056
2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile
CID 51119677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 21034764) is 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1nc2cc(C)nn2c(NCc2ccncc2)c1C#N.
What is the InChIKey of 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is ZWPGQCJHGCARGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c1-10-7-13-19-15(22-2)12(8-16)14(21(13)20-10)18-9-11-3-5-17-6-4-11/h3-7,18H,9H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 310.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 21034764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).