3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

C11H13N3O2 — CID 122543749

IUPAC3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2cc(C(C)C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C11H13N3O2/c1-6(2)8-5-14-4-7(3)9(15)12-11(14)13-10(8)16/h4-6H,1-3H3,(H,12,13,15,16)
InChIKeyQCTNMQATVWJOPN-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.81
Rot. Bonds1

About 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 122543749) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID122543749
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2cc(C(C)C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C11H13N3O2/c1-6(2)8-5-14-4-7(3)9(15)12-11(14)13-10(8)16/h4-6H,1-3H3,(H,12,13,15,16)
InChIKeyQCTNMQATVWJOPN-UHFFFAOYSA-N
XLogP0.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 122543749) is 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is Cc1cn2cc(C(C)C)c(=O)[nH]c2nc1=O.
What is the InChIKey of 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is QCTNMQATVWJOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6(2)8-5-14-4-7(3)9(15)12-11(14)13-10(8)16/h4-6H,1-3H3,(H,12,13,15,16).
What are the key properties of 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 219.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 122543749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).