4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C7H11N3O2 — CID 45024460

IUPAC4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2CCCNC2N1
InChIInChI=1S/C7H11N3O2/c11-6-4-2-1-3-8-5(4)9-7(12)10-6/h4-5,8H,1-3H2,(H2,9,10,11,12)
InChIKeyDXYWVTUVMOEIBL-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.85
Rot. Bonds

About 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 45024460) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID45024460
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2CCCNC2N1
InChIInChI=1S/C7H11N3O2/c11-6-4-2-1-3-8-5(4)9-7(12)10-6/h4-5,8H,1-3H2,(H2,9,10,11,12)
InChIKeyDXYWVTUVMOEIBL-UHFFFAOYSA-N
XLogP-0.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 45024460) is 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=C1NC(=O)C2CCCNC2N1.
What is the InChIKey of 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DXYWVTUVMOEIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-6-4-2-1-3-8-5(4)9-7(12)10-6/h4-5,8H,1-3H2,(H2,9,10,11,12).
What are the key properties of 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 45024460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).