7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one

C13H16N4O — CID 135435192

IUPAC7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one
SMILESC[C@@H]1CCCCC1c1cnc2c(=O)[nH]cnc2n1
InChIInChI=1S/C13H16N4O/c1-8-4-2-3-5-9(8)10-6-14-11-12(17-10)15-7-16-13(11)18/h6-9H,2-5H2,1H3,(H,15,16,17,18)/t8-,9?/m1/s1
InChIKeyCWCJYZLJMDBSRQ-VEDVMXKPSA-N
MW244.30 g/mol
LogP2.01
Rot. Bonds1

About 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one

7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one (PubChem CID 135435192) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one.

Molecular Properties

Compound Name7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one
PubChem CID135435192
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one
SMILESC[C@@H]1CCCCC1c1cnc2c(=O)[nH]cnc2n1
InChIInChI=1S/C13H16N4O/c1-8-4-2-3-5-9(8)10-6-14-11-12(17-10)15-7-16-13(11)18/h6-9H,2-5H2,1H3,(H,15,16,17,18)/t8-,9?/m1/s1
InChIKeyCWCJYZLJMDBSRQ-VEDVMXKPSA-N
XLogP2.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one?
The IUPAC name of 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one (CID 135435192) is 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one.
What is the SMILES notation for 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one?
The canonical SMILES for 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one is C[C@@H]1CCCCC1c1cnc2c(=O)[nH]cnc2n1.
What is the InChIKey of 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one?
The InChIKey is CWCJYZLJMDBSRQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-4-2-3-5-9(8)10-6-14-11-12(17-10)15-7-16-13(11)18/h6-9H,2-5H2,1H3,(H,15,16,17,18)/t8-,9?/m1/s1.
What are the key properties of 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one?
7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one has a molecular weight of 244.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one is sourced from PubChem (CID 135435192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).