3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile

C14H16N6O2 — CID 3232633

IUPAC3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile
SMILESCc1nc2cnc(N3CCOCC3)nc2n(CCC#N)c1=O
InChIInChI=1S/C14H16N6O2/c1-10-13(21)20(4-2-3-15)12-11(17-10)9-16-14(18-12)19-5-7-22-8-6-19/h9H,2,4-8H2,1H3
InChIKeyQUCQHSFJFZKYLN-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.25
Rot. Bonds3

About 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile

3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile (PubChem CID 3232633) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile.

Molecular Properties

Compound Name3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile
PubChem CID3232633
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile
SMILESCc1nc2cnc(N3CCOCC3)nc2n(CCC#N)c1=O
InChIInChI=1S/C14H16N6O2/c1-10-13(21)20(4-2-3-15)12-11(17-10)9-16-14(18-12)19-5-7-22-8-6-19/h9H,2,4-8H2,1H3
InChIKeyQUCQHSFJFZKYLN-UHFFFAOYSA-N
XLogP0.25
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile?
The IUPAC name of 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile (CID 3232633) is 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile.
What is the SMILES notation for 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile?
The canonical SMILES for 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile is Cc1nc2cnc(N3CCOCC3)nc2n(CCC#N)c1=O.
What is the InChIKey of 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile?
The InChIKey is QUCQHSFJFZKYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-10-13(21)20(4-2-3-15)12-11(17-10)9-16-14(18-12)19-5-7-22-8-6-19/h9H,2,4-8H2,1H3.
What are the key properties of 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile?
3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile has a molecular weight of 300.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile is sourced from PubChem (CID 3232633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).