1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol

C17H21N3O2 — CID 56780820

IUPAC1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCc2cncnc2C1
InChIInChI=1S/C17H21N3O2/c21-16(12-22-11-14-4-2-1-3-5-14)9-20-7-6-15-8-18-13-19-17(15)10-20/h1-5,8,13,16,21H,6-7,9-12H2
InChIKeyIQRKIKWIGXBBQW-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.41
Rot. Bonds6

About 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol

1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 56780820) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol
PubChem CID56780820
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCc2cncnc2C1
InChIInChI=1S/C17H21N3O2/c21-16(12-22-11-14-4-2-1-3-5-14)9-20-7-6-15-8-18-13-19-17(15)10-20/h1-5,8,13,16,21H,6-7,9-12H2
InChIKeyIQRKIKWIGXBBQW-UHFFFAOYSA-N
XLogP1.41
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]methyl]phenol
CID 129062379
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 878733
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95751074
1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol
CID 139685751
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol (CID 56780820) is 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN1CCc2cncnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is IQRKIKWIGXBBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16(12-22-11-14-4-2-1-3-5-14)9-20-7-6-15-8-18-13-19-17(15)10-20/h1-5,8,13,16,21H,6-7,9-12H2.
What are the key properties of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol?
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 299.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 56780820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).