6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine

C12H11N3O — CID 142152886

IUPAC6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine
SMILESCC#CNc1ncnc(-c2ccco2)c1C
InChIInChI=1S/C12H11N3O/c1-3-6-13-12-9(2)11(14-8-15-12)10-5-4-7-16-10/h4-5,7-8H,1-2H3,(H,13,14,15)
InChIKeyBGKUHFLVFZENID-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.44
Rot. Bonds2

About 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine

6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine (PubChem CID 142152886) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine
PubChem CID142152886
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine
SMILESCC#CNc1ncnc(-c2ccco2)c1C
InChIInChI=1S/C12H11N3O/c1-3-6-13-12-9(2)11(14-8-15-12)10-5-4-7-16-10/h4-5,7-8H,1-2H3,(H,13,14,15)
InChIKeyBGKUHFLVFZENID-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(furan-2-yl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 46906950
N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
5-(furan-2-yl)-N-methylpyrimidin-4-amine
CID 83695709
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
2-(furan-2-yl)-1,3,5-triazine
CID 54453407
N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734639
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
2-[amino-[5-ethyl-6-(furan-2-yl)pyrimidin-4-yl]amino]acetonitrile
CID 123767517
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
ethane;2-(furan-2-yl)furan
CID 161366084
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
4-[[6-(furan-2-yl)purin-9-yl]methyl]-N,N-dimethylaniline
CID 5270851

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine?
The IUPAC name of 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine (CID 142152886) is 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine is CC#CNc1ncnc(-c2ccco2)c1C.
What is the InChIKey of 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine?
The InChIKey is BGKUHFLVFZENID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-3-6-13-12-9(2)11(14-8-15-12)10-5-4-7-16-10/h4-5,7-8H,1-2H3,(H,13,14,15).
What are the key properties of 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine?
6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine has a molecular weight of 213.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-methyl-N-prop-1-ynylpyrimidin-4-amine is sourced from PubChem (CID 142152886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).