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

C15H18ClN3O — CID 82022586

IUPAC2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
SMILESCOc1ccc(Cc2ncc3c(n2)CCNC3)cc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-19-13-4-2-11(3-5-13)8-15-17-10-12-9-16-7-6-14(12)18-15;/h2-5,10,16H,6-9H2,1H3;1H
InChIKeyFSPROEKLSZAAJJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.14
Rot. Bonds3

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

2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride (PubChem CID 82022586) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
PubChem CID82022586
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
SMILESCOc1ccc(Cc2ncc3c(n2)CCNC3)cc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-19-13-4-2-11(3-5-13)8-15-17-10-12-9-16-7-6-14(12)18-15;/h2-5,10,16H,6-9H2,1H3;1H
InChIKeyFSPROEKLSZAAJJ-UHFFFAOYSA-N
XLogP2.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903977
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-methoxy-1-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 56741766
2-(propylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738461
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
3-(4-methoxyphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110240725
8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 82471113
2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903971
4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethyl)morpholine
CID 20825871
5-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-1,3,4-thiadiazol-2-amine
CID 146042679
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride (CID 82022586) is 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride is COc1ccc(Cc2ncc3c(n2)CCNC3)cc1.Cl.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The InChIKey is FSPROEKLSZAAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-19-13-4-2-11(3-5-13)8-15-17-10-12-9-16-7-6-14(12)18-15;/h2-5,10,16H,6-9H2,1H3;1H.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride is sourced from PubChem (CID 82022586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).