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

C10H12ClN5O — CID 10890435

IUPAC2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCN1C(=O)N2CCCN=C2c2c1nc(Cl)n2C
InChIInChI=1S/C10H12ClN5O/c1-14-6-7-12-4-3-5-16(7)10(17)15(2)8(6)13-9(14)11/h3-5H2,1-2H3
InChIKeyVOOZYTJYQJKHRZ-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.10
Rot. Bonds

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

2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (PubChem CID 10890435) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.

Molecular Properties

Compound Name2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
PubChem CID10890435
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCN1C(=O)N2CCCN=C2c2c1nc(Cl)n2C
InChIInChI=1S/C10H12ClN5O/c1-14-6-7-12-4-3-5-16(7)10(17)15(2)8(6)13-9(14)11/h3-5H2,1-2H3
InChIKeyVOOZYTJYQJKHRZ-UHFFFAOYSA-N
XLogP1.10
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The IUPAC name of 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (CID 10890435) is 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.
What is the SMILES notation for 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The canonical SMILES for 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is CN1C(=O)N2CCCN=C2c2c1nc(Cl)n2C.
What is the InChIKey of 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The InChIKey is VOOZYTJYQJKHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-14-6-7-12-4-3-5-16(7)10(17)15(2)8(6)13-9(14)11/h3-5H2,1-2H3.
What are the key properties of 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one has a molecular weight of 253.69 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is sourced from PubChem (CID 10890435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).