8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one

C12H15N5O — CID 3233431

IUPAC8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C12H15N5O/c1-3-13-12-14-6-9-10(16-12)17(8-4-5-8)11(18)7(2)15-9/h6,8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyYOCHCPWOAZBXNP-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.26
Rot. Bonds3

About 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one

8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one (PubChem CID 3233431) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one
PubChem CID3233431
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C12H15N5O/c1-3-13-12-14-6-9-10(16-12)17(8-4-5-8)11(18)7(2)15-9/h6,8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyYOCHCPWOAZBXNP-UHFFFAOYSA-N
XLogP1.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one (CID 3233431) is 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one is CCNc1ncc2nc(C)c(=O)n(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one?
The InChIKey is YOCHCPWOAZBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-13-12-14-6-9-10(16-12)17(8-4-5-8)11(18)7(2)15-9/h6,8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one?
8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one has a molecular weight of 245.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one is sourced from PubChem (CID 3233431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).