2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide

C7H13N3O2 — CID 91435037

IUPAC2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)N1CNC2COCC2C1
InChIInChI=1S/C7H13N3O2/c8-7(11)10-1-5-2-12-3-6(5)9-4-10/h5-6,9H,1-4H2,(H2,8,11)
InChIKeyBSIPULXHOUBGFO-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.06
Rot. Bonds

About 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide

2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 91435037) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide
PubChem CID91435037
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)N1CNC2COCC2C1
InChIInChI=1S/C7H13N3O2/c8-7(11)10-1-5-2-12-3-6(5)9-4-10/h5-6,9H,1-4H2,(H2,8,11)
InChIKeyBSIPULXHOUBGFO-UHFFFAOYSA-N
XLogP-1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide (CID 91435037) is 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide is NC(=O)N1CNC2COCC2C1.
What is the InChIKey of 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is BSIPULXHOUBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-7(11)10-1-5-2-12-3-6(5)9-4-10/h5-6,9H,1-4H2,(H2,8,11).
What are the key properties of 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide?
2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 171.20 g/mol, XLogP of -1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4a,5,7,7a-hexahydro-1H-furo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 91435037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).