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

C16H26N4O — CID 95751074

IUPAC(2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@@H](O)CN2CCc3cncnc3C2)CC1
InChIInChI=1S/C16H26N4O/c1-13-2-5-19(6-3-13)9-15(21)10-20-7-4-14-8-17-12-18-16(14)11-20/h8,12-13,15,21H,2-7,9-11H2,1H3/t15-/m1/s1
InChIKeyJINSZXQLTLPAMS-OAHLLOKOSA-N
MW290.41 g/mol
LogP0.93
Rot. Bonds4

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

(2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 95751074) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID95751074
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@@H](O)CN2CCc3cncnc3C2)CC1
InChIInChI=1S/C16H26N4O/c1-13-2-5-19(6-3-13)9-15(21)10-20-7-4-14-8-17-12-18-16(14)11-20/h8,12-13,15,21H,2-7,9-11H2,1H3/t15-/m1/s1
InChIKeyJINSZXQLTLPAMS-OAHLLOKOSA-N
XLogP0.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95610494
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol
CID 56780820
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 95291946
1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 56803067
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95610396
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
1-(2-methyl-5-nitroimidazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 134130579
3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981584
1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 109412002

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 95751074) is (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(C[C@@H](O)CN2CCc3cncnc3C2)CC1.
What is the InChIKey of (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is JINSZXQLTLPAMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-2-5-19(6-3-13)9-15(21)10-20-7-4-14-8-17-12-18-16(14)11-20/h8,12-13,15,21H,2-7,9-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 95751074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).