3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione

C10H15N3O2 — CID 112640025

IUPAC3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCC(C)C1C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C10H15N3O2/c1-6(2)7-8(14)12-10-11-4-3-5-13(10)9(7)15/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyKDRKYNBRZQDQGU-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.02
Rot. Bonds1

About 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione

3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (PubChem CID 112640025) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
PubChem CID112640025
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCC(C)C1C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C10H15N3O2/c1-6(2)7-8(14)12-10-11-4-3-5-13(10)9(7)15/h6-7H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyKDRKYNBRZQDQGU-UHFFFAOYSA-N
XLogP-0.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (CID 112640025) is 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is CC(C)C1C(=O)NC2=NCCCN2C1=O.
What is the InChIKey of 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is KDRKYNBRZQDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)7-8(14)12-10-11-4-3-5-13(10)9(7)15/h6-7H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 112640025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).