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

C17H21FN4O — CID 86773222

IUPAC2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol
SMILESCN(C)c1ncnc2c1CN(CC(O)c1ccc(F)cc1)CC2
InChIInChI=1S/C17H21FN4O/c1-21(2)17-14-9-22(8-7-15(14)19-11-20-17)10-16(23)12-3-5-13(18)6-4-12/h3-6,11,16,23H,7-10H2,1-2H3
InChIKeyZSHJDHKIIQMSIP-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.77
Rot. Bonds4

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

2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 86773222) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol
PubChem CID86773222
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol
SMILESCN(C)c1ncnc2c1CN(CC(O)c1ccc(F)cc1)CC2
InChIInChI=1S/C17H21FN4O/c1-21(2)17-14-9-22(8-7-15(14)19-11-20-17)10-16(23)12-3-5-13(18)6-4-12/h3-6,11,16,23H,7-10H2,1-2H3
InChIKeyZSHJDHKIIQMSIP-UHFFFAOYSA-N
XLogP1.77
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol (CID 86773222) is 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol is CN(C)c1ncnc2c1CN(CC(O)c1ccc(F)cc1)CC2.
What is the InChIKey of 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is ZSHJDHKIIQMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-21(2)17-14-9-22(8-7-15(14)19-11-20-17)10-16(23)12-3-5-13(18)6-4-12/h3-6,11,16,23H,7-10H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol?
2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 316.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 86773222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).