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

C18H21N3O2 — CID 24929714

IUPAC2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCc3nc(C4CC4)ncc3C2)c1
InChIInChI=1S/C18H21N3O2/c1-23-15-4-5-17(22)13(8-15)10-21-7-6-16-14(11-21)9-19-18(20-16)12-2-3-12/h4-5,8-9,12,22H,2-3,6-7,10-11H2,1H3
InChIKeyRKKXVERPBJUCQI-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.63
Rot. Bonds4

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

2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol (PubChem CID 24929714) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
PubChem CID24929714
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCc3nc(C4CC4)ncc3C2)c1
InChIInChI=1S/C18H21N3O2/c1-23-15-4-5-17(22)13(8-15)10-21-7-6-16-14(11-21)9-19-18(20-16)12-2-3-12/h4-5,8-9,12,22H,2-3,6-7,10-11H2,1H3
InChIKeyRKKXVERPBJUCQI-UHFFFAOYSA-N
XLogP2.63
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-cyclohexyl-6-[(5-methoxy-1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911549
4-methoxy-2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929711
3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
CID 24928286
6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92594886
2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853
1-[(3S)-3-[6-[(2-hydroxy-5-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92556228
1-[3-[6-[(2-hydroxy-5-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110241489
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
1-[(3R)-3-[6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549101
2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92608958

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol (CID 24929714) is 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCc3nc(C4CC4)ncc3C2)c1.
What is the InChIKey of 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol?
The InChIKey is RKKXVERPBJUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-15-4-5-17(22)13(8-15)10-21-7-6-16-14(11-21)9-19-18(20-16)12-2-3-12/h4-5,8-9,12,22H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol?
2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol has a molecular weight of 311.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol is sourced from PubChem (CID 24929714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).