1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one

C10H13N5O — CID 10943966

IUPAC1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCN1C(=O)N2CCCN=C2c2c1ncn2C
InChIInChI=1S/C10H13N5O/c1-13-6-12-8-7(13)9-11-4-3-5-15(9)10(16)14(8)2/h6H,3-5H2,1-2H3
InChIKeyHFXBSHMCMHGASQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.44
Rot. Bonds

About 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one

1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (PubChem CID 10943966) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.

Molecular Properties

Compound Name1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
PubChem CID10943966
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCN1C(=O)N2CCCN=C2c2c1ncn2C
InChIInChI=1S/C10H13N5O/c1-13-6-12-8-7(13)9-11-4-3-5-15(9)10(16)14(8)2/h6H,3-5H2,1-2H3
InChIKeyHFXBSHMCMHGASQ-UHFFFAOYSA-N
XLogP0.44
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The IUPAC name of 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (CID 10943966) is 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.
What is the SMILES notation for 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The canonical SMILES for 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is CN1C(=O)N2CCCN=C2c2c1ncn2C.
What is the InChIKey of 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The InChIKey is HFXBSHMCMHGASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-13-6-12-8-7(13)9-11-4-3-5-15(9)10(16)14(8)2/h6H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one has a molecular weight of 219.25 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is sourced from PubChem (CID 10943966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).