2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C11H17N3O — CID 131744660

IUPAC2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCC(C)N1c2ccnc(=O)n2CCC1C
InChIInChI=1S/C11H17N3O/c1-8(2)14-9(3)5-7-13-10(14)4-6-12-11(13)15/h4,6,8-9H,5,7H2,1-3H3
InChIKeyBKNLXHWIPOFMCC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.25
Rot. Bonds1

About 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 131744660) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID131744660
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCC(C)N1c2ccnc(=O)n2CCC1C
InChIInChI=1S/C11H17N3O/c1-8(2)14-9(3)5-7-13-10(14)4-6-12-11(13)15/h4,6,8-9H,5,7H2,1-3H3
InChIKeyBKNLXHWIPOFMCC-UHFFFAOYSA-N
XLogP1.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 131744660) is 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is CC(C)N1c2ccnc(=O)n2CCC1C.
What is the InChIKey of 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is BKNLXHWIPOFMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)14-9(3)5-7-13-10(14)4-6-12-11(13)15/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 131744660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).