4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine

C19H22N4O2 — CID 162348657

IUPAC4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
SMILESCOc1ccc(CN2CN=Cc3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C19H22N4O2/c1-24-17-4-2-15(3-5-17)13-23-14-20-12-18-19(23)10-16(11-21-18)22-6-8-25-9-7-22/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyCVMVXKPNNUHZEZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.32
Rot. Bonds4

About 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine

4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine (PubChem CID 162348657) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
PubChem CID162348657
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
SMILESCOc1ccc(CN2CN=Cc3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C19H22N4O2/c1-24-17-4-2-15(3-5-17)13-23-14-20-12-18-19(23)10-16(11-21-18)22-6-8-25-9-7-22/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyCVMVXKPNNUHZEZ-UHFFFAOYSA-N
XLogP2.32
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine (CID 162348657) is 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine is COc1ccc(CN2CN=Cc3ncc(N4CCOCC4)cc32)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine?
The InChIKey is CVMVXKPNNUHZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-24-17-4-2-15(3-5-17)13-23-14-20-12-18-19(23)10-16(11-21-18)22-6-8-25-9-7-22/h2-5,10-12H,6-9,13-14H2,1H3.
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine?
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine has a molecular weight of 338.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 162348657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).