(1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

C17H20F2N4O — CID 95148332

IUPAC(1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESCN(C)c1ncnc2c1CN(C[C@@H](O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C17H20F2N4O/c1-22(2)17-13-8-23(6-5-15(13)20-10-21-17)9-16(24)12-4-3-11(18)7-14(12)19/h3-4,7,10,16,24H,5-6,8-9H2,1-2H3/t16-/m1/s1
InChIKeyGUAAXGDWUPZWJD-MRXNPFEDSA-N
MW334.37 g/mol
LogP1.91
Rot. Bonds4

About (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

(1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (PubChem CID 95148332) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
PubChem CID95148332
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name(1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESCN(C)c1ncnc2c1CN(C[C@@H](O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C17H20F2N4O/c1-22(2)17-13-8-23(6-5-15(13)20-10-21-17)9-16(24)12-4-3-11(18)7-14(12)19/h3-4,7,10,16,24H,5-6,8-9H2,1-2H3/t16-/m1/s1
InChIKeyGUAAXGDWUPZWJD-MRXNPFEDSA-N
XLogP1.91
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol
CID 86773222
6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 111469783
6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 86773231
(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95135126
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 110898680
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843
6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86773118
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
1-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methoxyethanone
CID 110898010
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (CID 95148332) is (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is CN(C)c1ncnc2c1CN(C[C@@H](O)c1ccc(F)cc1F)CC2.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The InChIKey is GUAAXGDWUPZWJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-22(2)17-13-8-23(6-5-15(13)20-10-21-17)9-16(24)12-4-3-11(18)7-14(12)19/h3-4,7,10,16,24H,5-6,8-9H2,1-2H3/t16-/m1/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
(1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol has a molecular weight of 334.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 95148332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).