4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine

C9H12N6 — CID 64830096

IUPAC4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(-n2ccc(N)n2)n1
InChIInChI=1S/C9H12N6/c1-14(2)9-11-5-3-8(12-9)15-6-4-7(10)13-15/h3-6H,1-2H3,(H2,10,13)
InChIKeyXSOHCSNAWKLJRT-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.31
Rot. Bonds2

About 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine

4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 64830096) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID64830096
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(-n2ccc(N)n2)n1
InChIInChI=1S/C9H12N6/c1-14(2)9-11-5-3-8(12-9)15-6-4-7(10)13-15/h3-6H,1-2H3,(H2,10,13)
InChIKeyXSOHCSNAWKLJRT-UHFFFAOYSA-N
XLogP0.31
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-chloro-2-pyridinyl)pyrazol-3-amine
CID 57220535
4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
CID 64831077
6-(3-aminopyrazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341249
4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830500
6-(3-aminopyrazol-1-yl)pyridine-2-carbonitrile
CID 64589202
1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine
CID 130588403
ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate
CID 61176223
1-(5-fluoro-2-pyridinyl)pyrazol-3-amine
CID 61311412
1-(1-methyltriazol-4-yl)pyrazol-3-amine
CID 134589223
1-(2-chloro-4-pyridinyl)pyrazol-3-amine
CID 134589171
1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
CID 57289097
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 104976030

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine (CID 64830096) is 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(-n2ccc(N)n2)n1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is XSOHCSNAWKLJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-14(2)9-11-5-3-8(12-9)15-6-4-7(10)13-15/h3-6H,1-2H3,(H2,10,13).
What are the key properties of 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 204.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64830096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).