1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine

C13H13N5O — CID 83217036

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine
SMILESCc1cc(C)nc(-n2cc(N)c(-c3ccoc3)n2)n1
InChIInChI=1S/C13H13N5O/c1-8-5-9(2)16-13(15-8)18-6-11(14)12(17-18)10-3-4-19-7-10/h3-7H,14H2,1-2H3
InChIKeyBEJMMFNZLBRBQI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.12
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine

1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine (PubChem CID 83217036) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine
PubChem CID83217036
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine
SMILESCc1cc(C)nc(-n2cc(N)c(-c3ccoc3)n2)n1
InChIInChI=1S/C13H13N5O/c1-8-5-9(2)16-13(15-8)18-6-11(14)12(17-18)10-3-4-19-7-10/h3-7H,14H2,1-2H3
InChIKeyBEJMMFNZLBRBQI-UHFFFAOYSA-N
XLogP2.12
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203239
1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216257
1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine
CID 83217234
1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
CID 57289097
1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde
CID 43244285
3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-4-amine
CID 83222410
[2-(furan-3-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 63204392
4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline
CID 71613057
2-(furan-3-yl)-4-methylaniline
CID 63949346
2-(furan-3-yl)pyridin-3-amine
CID 67131467
3-(3-methylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
CID 83217849
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine (CID 83217036) is 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine is Cc1cc(C)nc(-n2cc(N)c(-c3ccoc3)n2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine?
The InChIKey is BEJMMFNZLBRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-5-9(2)16-13(15-8)18-6-11(14)12(17-18)10-3-4-19-7-10/h3-7H,14H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine?
1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine has a molecular weight of 255.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 83217036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).