2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C12H11N5O — CID 106715562

IUPAC2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3ccoc3)n2)cn1
InChIInChI=1S/C12H11N5O/c1-17-6-9(5-14-17)10-4-11(13)16-12(15-10)8-2-3-18-7-8/h2-7H,1H3,(H2,13,15,16)
InChIKeyFFNQIFJJSWGLNN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds2

About 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715562) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715562
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3ccoc3)n2)cn1
InChIInChI=1S/C12H11N5O/c1-17-6-9(5-14-17)10-4-11(13)16-12(15-10)8-2-3-18-7-8/h2-7H,1H3,(H2,13,15,16)
InChIKeyFFNQIFJJSWGLNN-UHFFFAOYSA-N
XLogP1.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
2-(furan-3-yl)-6-propylpyrimidin-4-amine
CID 63204623
6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 106715564
2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715725

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715562) is 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(-c2cc(N)nc(-c3ccoc3)n2)cn1.
What is the InChIKey of 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is FFNQIFJJSWGLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-6-9(5-14-17)10-4-11(13)16-12(15-10)8-2-3-18-7-8/h2-7H,1H3,(H2,13,15,16).
What are the key properties of 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).