4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine

C15H18N6O — CID 152780292

IUPAC4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
SMILESc1cnc(N2CCc3c(ncnc3N3CCOCC3)C2)nc1
InChIInChI=1S/C15H18N6O/c1-3-16-15(17-4-1)21-5-2-12-13(10-21)18-11-19-14(12)20-6-8-22-9-7-20/h1,3-4,11H,2,5-10H2
InChIKeyYDGSPLPLWIHSHV-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.67
Rot. Bonds2

About 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine

4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine (PubChem CID 152780292) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
PubChem CID152780292
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
SMILESc1cnc(N2CCc3c(ncnc3N3CCOCC3)C2)nc1
InChIInChI=1S/C15H18N6O/c1-3-16-15(17-4-1)21-5-2-12-13(10-21)18-11-19-14(12)20-6-8-22-9-7-20/h1,3-4,11H,2,5-10H2
InChIKeyYDGSPLPLWIHSHV-UHFFFAOYSA-N
XLogP0.67
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine (CID 152780292) is 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine is c1cnc(N2CCc3c(ncnc3N3CCOCC3)C2)nc1.
What is the InChIKey of 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is YDGSPLPLWIHSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-16-15(17-4-1)21-5-2-12-13(10-21)18-11-19-14(12)20-6-8-22-9-7-20/h1,3-4,11H,2,5-10H2.
What are the key properties of 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine?
4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 298.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 152780292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).