4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine

C12H18N4O — CID 20825871

IUPAC4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine
SMILESc1nc(CN2CCOCC2)nc2c1CNCC2
InChIInChI=1S/C12H18N4O/c1-2-13-7-10-8-14-12(15-11(1)10)9-16-3-5-17-6-4-16/h8,13H,1-7,9H2
InChIKeyLDAHONWGIFGVSJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.05
Rot. Bonds2

About 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine

4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine (PubChem CID 20825871) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine
PubChem CID20825871
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine
SMILESc1nc(CN2CCOCC2)nc2c1CNCC2
InChIInChI=1S/C12H18N4O/c1-2-13-7-10-8-14-12(15-11(1)10)9-16-3-5-17-6-4-16/h8,13H,1-7,9H2
InChIKeyLDAHONWGIFGVSJ-UHFFFAOYSA-N
XLogP-0.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine?
The IUPAC name of 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine (CID 20825871) is 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine?
The canonical SMILES for 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine is c1nc(CN2CCOCC2)nc2c1CNCC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine?
The InChIKey is LDAHONWGIFGVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-13-7-10-8-14-12(15-11(1)10)9-16-3-5-17-6-4-16/h8,13H,1-7,9H2.
What are the key properties of 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine?
4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine has a molecular weight of 234.30 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine is sourced from PubChem (CID 20825871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).