5-(furan-2-yl)-N-methylpyrimidin-4-amine

C9H9N3O — CID 83695709

IUPAC5-(furan-2-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ncncc1-c1ccco1
InChIInChI=1S/C9H9N3O/c1-10-9-7(5-11-6-12-9)8-3-2-4-13-8/h2-6H,1H3,(H,10,11,12)
InChIKeyFMNDBLIRSHMYTI-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.78
Rot. Bonds2

About 5-(furan-2-yl)-N-methylpyrimidin-4-amine

5-(furan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 83695709) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID83695709
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-(furan-2-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ncncc1-c1ccco1
InChIInChI=1S/C9H9N3O/c1-10-9-7(5-11-6-12-9)8-3-2-4-13-8/h2-6H,1H3,(H,10,11,12)
InChIKeyFMNDBLIRSHMYTI-UHFFFAOYSA-N
XLogP1.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-pyridin-4-ylpyrimidin-4-amine
CID 83697189
2-(furan-2-yl)-1,3,5-triazine
CID 54453407
5-[3,5-bis(trifluoromethyl)phenyl]-4-(furan-2-yl)pyrimidine
CID 127050998
2-chloro-N-(2,2-dimethylpropyl)-5-(furan-2-yl)pyrimidin-4-amine
CID 175059406
ethane;2-(furan-2-yl)furan
CID 161366084
5-[2-(furan-2-yl)phenyl]-1,3-oxazole
CID 168525054
3-(furan-2-yl)pyridine-4-carbaldehyde
CID 96630720
2-(furan-2-yl)-N,4-dimethylaniline
CID 145268852
N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine
CID 134569096
6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine
CID 142152886
5-(furan-2-yl)-2-methyl-1,3-oxazole
CID 14248637
2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305905

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-(furan-2-yl)-N-methylpyrimidin-4-amine (CID 83695709) is 5-(furan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(furan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-(furan-2-yl)-N-methylpyrimidin-4-amine is CNc1ncncc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is FMNDBLIRSHMYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-10-9-7(5-11-6-12-9)8-3-2-4-13-8/h2-6H,1H3,(H,10,11,12).
What are the key properties of 5-(furan-2-yl)-N-methylpyrimidin-4-amine?
5-(furan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 175.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 83695709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).