2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one

C19H17ClN6O — CID 58405320

IUPAC2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(Cl)nc2N1c1cccc(-c2cncnc2)c1
InChIInChI=1S/C19H17ClN6O/c1-3-15-18(27)25(2)16-10-23-19(20)24-17(16)26(15)14-6-4-5-12(7-14)13-8-21-11-22-9-13/h4-11,15H,3H2,1-2H3
InChIKeySGOXBNLFNIYJCK-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one

2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one (PubChem CID 58405320) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one.

Molecular Properties

Compound Name2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one
PubChem CID58405320
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(Cl)nc2N1c1cccc(-c2cncnc2)c1
InChIInChI=1S/C19H17ClN6O/c1-3-15-18(27)25(2)16-10-23-19(20)24-17(16)26(15)14-6-4-5-12(7-14)13-8-21-11-22-9-13/h4-11,15H,3H2,1-2H3
InChIKeySGOXBNLFNIYJCK-UHFFFAOYSA-N
XLogP3.48
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one?
The IUPAC name of 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one (CID 58405320) is 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one.
What is the SMILES notation for 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one?
The canonical SMILES for 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(Cl)nc2N1c1cccc(-c2cncnc2)c1.
What is the InChIKey of 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one?
The InChIKey is SGOXBNLFNIYJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-3-15-18(27)25(2)16-10-23-19(20)24-17(16)26(15)14-6-4-5-12(7-14)13-8-21-11-22-9-13/h4-11,15H,3H2,1-2H3.
What are the key properties of 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one?
2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one has a molecular weight of 380.84 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one is sourced from PubChem (CID 58405320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).