2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C15H17N3O2 — CID 28903977

IUPAC2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1ccc(OCc2ncc3c(n2)CCNC3)cc1
InChIInChI=1S/C15H17N3O2/c1-19-12-2-4-13(5-3-12)20-10-15-17-9-11-8-16-7-6-14(11)18-15/h2-5,9,16H,6-8,10H2,1H3
InChIKeyJIKLVNOKSUGFHT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.71
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 28903977) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID28903977
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1ccc(OCc2ncc3c(n2)CCNC3)cc1
InChIInChI=1S/C15H17N3O2/c1-19-12-2-4-13(5-3-12)20-10-15-17-9-11-8-16-7-6-14(11)18-15/h2-5,9,16H,6-8,10H2,1H3
InChIKeyJIKLVNOKSUGFHT-UHFFFAOYSA-N
XLogP1.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
CID 82022586
2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903971
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
CID 170900386
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738456
2-(propylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738461
8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 82471113
4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine
CID 20825871
7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 54592647
2-(2-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126619037
2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738325
3-(4-methoxyphenyl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92595620

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 28903977) is 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1ccc(OCc2ncc3c(n2)CCNC3)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is JIKLVNOKSUGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-12-2-4-13(5-3-12)20-10-15-17-9-11-8-16-7-6-14(11)18-15/h2-5,9,16H,6-8,10H2,1H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 28903977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).