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

C20H26N4O3 — CID 20960628

IUPAC4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCOc1ccc(OC)c(CN2CCc3nc(N4CCOCC4)ncc3C2)c1
InChIInChI=1S/C20H26N4O3/c1-25-17-3-4-19(26-2)15(11-17)13-23-6-5-18-16(14-23)12-21-20(22-18)24-7-9-27-10-8-24/h3-4,11-12H,5-10,13-14H2,1-2H3
InChIKeySLCQQPCAXLROFF-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.89
Rot. Bonds5

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

4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 20960628) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID20960628
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCOc1ccc(OC)c(CN2CCc3nc(N4CCOCC4)ncc3C2)c1
InChIInChI=1S/C20H26N4O3/c1-25-17-3-4-19(26-2)15(11-17)13-23-6-5-18-16(14-23)12-21-20(22-18)24-7-9-27-10-8-24/h3-4,11-12H,5-10,13-14H2,1-2H3
InChIKeySLCQQPCAXLROFF-UHFFFAOYSA-N
XLogP1.89
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 20960628) is 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is COc1ccc(OC)c(CN2CCc3nc(N4CCOCC4)ncc3C2)c1.
What is the InChIKey of 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is SLCQQPCAXLROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-25-17-3-4-19(26-2)15(11-17)13-23-6-5-18-16(14-23)12-21-20(22-18)24-7-9-27-10-8-24/h3-4,11-12H,5-10,13-14H2,1-2H3.
What are the key properties of 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 370.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 20960628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).