1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile

C10H10N6 — CID 108775308

IUPAC1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile
SMILESCc1cc(Nc2c(C#N)cnn2C)ncn1
InChIInChI=1S/C10H10N6/c1-7-3-9(13-6-12-7)15-10-8(4-11)5-14-16(10)2/h3,5-6H,1-2H3,(H,12,13,15)
InChIKeyWJXXLQJKMXNVBQ-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.13
Rot. Bonds2

About 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile

1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile (PubChem CID 108775308) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile
PubChem CID108775308
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile
SMILESCc1cc(Nc2c(C#N)cnn2C)ncn1
InChIInChI=1S/C10H10N6/c1-7-3-9(13-6-12-7)15-10-8(4-11)5-14-16(10)2/h3,5-6H,1-2H3,(H,12,13,15)
InChIKeyWJXXLQJKMXNVBQ-UHFFFAOYSA-N
XLogP1.13
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile (CID 108775308) is 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile is Cc1cc(Nc2c(C#N)cnn2C)ncn1.
What is the InChIKey of 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile?
The InChIKey is WJXXLQJKMXNVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-7-3-9(13-6-12-7)15-10-8(4-11)5-14-16(10)2/h3,5-6H,1-2H3,(H,12,13,15).
What are the key properties of 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile?
1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 108775308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).