4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile

C10H10N6 — CID 2821074

IUPAC4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile
SMILESCc1cc(C)n(-c2ncc(C#N)c(N)n2)n1
InChIInChI=1S/C10H10N6/c1-6-3-7(2)16(15-6)10-13-5-8(4-11)9(12)14-10/h3,5H,1-2H3,(H2,12,13,14)
InChIKeyZVLFTVJRVQNJJB-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.73
Rot. Bonds1

About 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile

4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile (PubChem CID 2821074) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile
PubChem CID2821074
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile
SMILESCc1cc(C)n(-c2ncc(C#N)c(N)n2)n1
InChIInChI=1S/C10H10N6/c1-6-3-7(2)16(15-6)10-13-5-8(4-11)9(12)14-10/h3,5H,1-2H3,(H2,12,13,14)
InChIKeyZVLFTVJRVQNJJB-UHFFFAOYSA-N
XLogP0.73
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile (CID 2821074) is 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile is Cc1cc(C)n(-c2ncc(C#N)c(N)n2)n1.
What is the InChIKey of 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is ZVLFTVJRVQNJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-6-3-7(2)16(15-6)10-13-5-8(4-11)9(12)14-10/h3,5H,1-2H3,(H2,12,13,14).
What are the key properties of 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 2821074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).