7-butan-2-ylfuro[3,2-d]pyrimidine

C10H12N2O — CID 145188383

IUPAC7-butan-2-ylfuro[3,2-d]pyrimidine
SMILESCCC(C)c1coc2cncnc12
InChIInChI=1S/C10H12N2O/c1-3-7(2)8-5-13-9-4-11-6-12-10(8)9/h4-7H,3H2,1-2H3
InChIKeyDPSWKVINWPSRLS-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.74
Rot. Bonds2

About 7-butan-2-ylfuro[3,2-d]pyrimidine

7-butan-2-ylfuro[3,2-d]pyrimidine (PubChem CID 145188383) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-butan-2-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-butan-2-ylfuro[3,2-d]pyrimidine
PubChem CID145188383
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name7-butan-2-ylfuro[3,2-d]pyrimidine
SMILESCCC(C)c1coc2cncnc12
InChIInChI=1S/C10H12N2O/c1-3-7(2)8-5-13-9-4-11-6-12-10(8)9/h4-7H,3H2,1-2H3
InChIKeyDPSWKVINWPSRLS-UHFFFAOYSA-N
XLogP2.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-4-propan-2-ylpyrimidine
CID 126657195
5-butan-2-yl-4-methylpyrimidine
CID 138494924
5-butan-2-yl-8-propan-2-ylquinazoline
CID 138572874
5-butan-2-ylpyrimidin-4-amine
CID 176568045
N-(5-butan-2-ylpyrimidin-4-yl)methanimine
CID 176663745
furo[3,2-d]pyrimidin-7-ylhydrazine
CID 155490154
3-furo[3,2-b]pyridin-3-ylbutan-1-amine
CID 84771544
pyrimido[4,5-e][1,3]oxazin-4-one
CID 66841268
4-butan-2-yl-3-methylpyridine
CID 66641815
4,7-di(butan-2-yl)-1,10-phenanthroline;ruthenium
CID 58161913
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole
CID 70917872

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 7-butan-2-ylfuro[3,2-d]pyrimidine (CID 145188383) is 7-butan-2-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 7-butan-2-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 7-butan-2-ylfuro[3,2-d]pyrimidine is CCC(C)c1coc2cncnc12.
What is the InChIKey of 7-butan-2-ylfuro[3,2-d]pyrimidine?
The InChIKey is DPSWKVINWPSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-7(2)8-5-13-9-4-11-6-12-10(8)9/h4-7H,3H2,1-2H3.
What are the key properties of 7-butan-2-ylfuro[3,2-d]pyrimidine?
7-butan-2-ylfuro[3,2-d]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 145188383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).