4-tert-butylfuro[3,2-d]pyrimidine

C10H12N2O — CID 58332108

IUPAC4-tert-butylfuro[3,2-d]pyrimidine
SMILESCC(C)(C)c1ncnc2ccoc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-8-7(4-5-13-8)11-6-12-9/h4-6H,1-3H3
InChIKeyDNMXKIHGMWIJQS-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.52
Rot. Bonds

About 4-tert-butylfuro[3,2-d]pyrimidine

4-tert-butylfuro[3,2-d]pyrimidine (PubChem CID 58332108) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-tert-butylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-tert-butylfuro[3,2-d]pyrimidine
PubChem CID58332108
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-tert-butylfuro[3,2-d]pyrimidine
SMILESCC(C)(C)c1ncnc2ccoc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-8-7(4-5-13-8)11-6-12-9/h4-6H,1-3H3
InChIKeyDNMXKIHGMWIJQS-UHFFFAOYSA-N
XLogP2.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylfuro[3,2-d]pyrimidine?
The IUPAC name of 4-tert-butylfuro[3,2-d]pyrimidine (CID 58332108) is 4-tert-butylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-tert-butylfuro[3,2-d]pyrimidine?
The canonical SMILES for 4-tert-butylfuro[3,2-d]pyrimidine is CC(C)(C)c1ncnc2ccoc12.
What is the InChIKey of 4-tert-butylfuro[3,2-d]pyrimidine?
The InChIKey is DNMXKIHGMWIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2,3)9-8-7(4-5-13-8)11-6-12-9/h4-6H,1-3H3.
What are the key properties of 4-tert-butylfuro[3,2-d]pyrimidine?
4-tert-butylfuro[3,2-d]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 58332108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).