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

C12H15N5O — CID 3235340

IUPAC8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one
SMILESCc1nc2cnc(N(C)C)nc2n(C2CC2)c1=O
InChIInChI=1S/C12H15N5O/c1-7-11(18)17(8-4-5-8)10-9(14-7)6-13-12(15-10)16(2)3/h6,8H,4-5H2,1-3H3
InChIKeyMBYZIPIRDJTRMQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.90
Rot. Bonds2

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

8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one (PubChem CID 3235340) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one
PubChem CID3235340
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one
SMILESCc1nc2cnc(N(C)C)nc2n(C2CC2)c1=O
InChIInChI=1S/C12H15N5O/c1-7-11(18)17(8-4-5-8)10-9(14-7)6-13-12(15-10)16(2)3/h6,8H,4-5H2,1-3H3
InChIKeyMBYZIPIRDJTRMQ-UHFFFAOYSA-N
XLogP0.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one (CID 3235340) is 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one is Cc1nc2cnc(N(C)C)nc2n(C2CC2)c1=O.
What is the InChIKey of 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one?
The InChIKey is MBYZIPIRDJTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-11(18)17(8-4-5-8)10-9(14-7)6-13-12(15-10)16(2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one?
8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one has a molecular weight of 245.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(dimethylamino)-6-methylpteridin-7-one is sourced from PubChem (CID 3235340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).