1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol

C19H19N5O — CID 22328673

IUPAC1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCc3ccc(-c4cncnc4)cc3C2)n1
InChIInChI=1S/C19H19N5O/c1-13(25)19-22-6-4-18(23-19)24-7-5-14-2-3-15(8-16(14)11-24)17-9-20-12-21-10-17/h2-4,6,8-10,12-13,25H,5,7,11H2,1H3
InChIKeyNSPRPUGBBMLEOA-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.55
Rot. Bonds3

About 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol

1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol (PubChem CID 22328673) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol
PubChem CID22328673
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCc3ccc(-c4cncnc4)cc3C2)n1
InChIInChI=1S/C19H19N5O/c1-13(25)19-22-6-4-18(23-19)24-7-5-14-2-3-15(8-16(14)11-24)17-9-20-12-21-10-17/h2-4,6,8-10,12-13,25H,5,7,11H2,1H3
InChIKeyNSPRPUGBBMLEOA-UHFFFAOYSA-N
XLogP2.55
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[4-(6-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol
CID 59899494
1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol
CID 22328619
1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol
CID 22328728
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 124502141
6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 153364846
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59984439
(1S)-1-[4-[(2R,6S)-4-[4-[(1S)-1-hydroxyethyl]-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10133091
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124502145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol (CID 22328673) is 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2CCc3ccc(-c4cncnc4)cc3C2)n1.
What is the InChIKey of 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol?
The InChIKey is NSPRPUGBBMLEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13(25)19-22-6-4-18(23-19)24-7-5-14-2-3-15(8-16(14)11-24)17-9-20-12-21-10-17/h2-4,6,8-10,12-13,25H,5,7,11H2,1H3.
What are the key properties of 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol?
1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol has a molecular weight of 333.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22328673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).