6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C17H21FN4O — CID 86773233

IUPAC6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(F)cc1CN1CCc2ncnc(N(C)C)c2C1
InChIInChI=1S/C17H21FN4O/c1-21(2)17-14-10-22(7-6-15(14)19-11-20-17)9-12-8-13(18)4-5-16(12)23-3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyFUDPDEGEOSSMMW-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.25
Rot. Bonds4

About 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 86773233) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID86773233
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(F)cc1CN1CCc2ncnc(N(C)C)c2C1
InChIInChI=1S/C17H21FN4O/c1-21(2)17-14-10-22(7-6-15(14)19-11-20-17)9-12-8-13(18)4-5-16(12)23-3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyFUDPDEGEOSSMMW-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86773118
6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 86773231
2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol
CID 86773222
5-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 74244350
4-[3-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propoxy]benzonitrile
CID 86773045
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
CID 112802116
2-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 86773101
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928810
(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95135126
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
N-[7-[(2,5-dimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663342
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
CID 78901448

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 86773233) is 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(F)cc1CN1CCc2ncnc(N(C)C)c2C1.
What is the InChIKey of 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FUDPDEGEOSSMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-21(2)17-14-10-22(7-6-15(14)19-11-20-17)9-12-8-13(18)4-5-16(12)23-3/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 316.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86773233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).