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

C13H13N5O — CID 106715571

IUPAC2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1occc1-c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H13N5O/c1-8-10(3-4-19-8)13-16-11(5-12(14)17-13)9-6-15-18(2)7-9/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyXUVVERSFRSYZRA-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.03
Rot. Bonds2

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

2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715571) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715571
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1occc1-c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H13N5O/c1-8-10(3-4-19-8)13-16-11(5-12(14)17-13)9-6-15-18(2)7-9/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyXUVVERSFRSYZRA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-yl]hydrazine
CID 106716181
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
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
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
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-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715725
2-(3-methylcyclopentyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715595

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715571) is 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cc1occc1-c1nc(N)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is XUVVERSFRSYZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-10(3-4-19-8)13-16-11(5-12(14)17-13)9-6-15-18(2)7-9/h3-7H,1-2H3,(H2,14,16,17).
What are the key properties of 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).