1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline

C18H17N5 — CID 153364917

IUPAC1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2CCN1c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C18H17N5/c1-13-16-6-3-2-5-14(16)7-10-23(13)15-11-21-18(22-12-15)17-19-8-4-9-20-17/h2-6,8-9,11-13H,7,10H2,1H3
InChIKeyWUDFDMQTVFDPHZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.06
Rot. Bonds2

About 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline

1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 153364917) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID153364917
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2CCN1c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C18H17N5/c1-13-16-6-3-2-5-14(16)7-10-23(13)15-11-21-18(22-12-15)17-19-8-4-9-20-17/h2-6,8-9,11-13H,7,10H2,1H3
InChIKeyWUDFDMQTVFDPHZ-UHFFFAOYSA-N
XLogP3.06
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962
(1S)-2-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 175310429
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
5-bromo-2-pyrimidin-2-ylpyrimidine;ethane;methane;1-methyl-2,3-dihydro-1H-isoindole;tris(1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-1,3-dihydroisoindole)
CID 158987752
6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrido[2,3-b]pyrazine
CID 133343862
1-methyl-2-(3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 67142862
1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 23043046
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 133343956
1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133343935
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669791

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline (CID 153364917) is 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline is CC1c2ccccc2CCN1c1cnc(-c2ncccn2)nc1.
What is the InChIKey of 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is WUDFDMQTVFDPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-13-16-6-3-2-5-14(16)7-10-23(13)15-11-21-18(22-12-15)17-19-8-4-9-20-17/h2-6,8-9,11-13H,7,10H2,1H3.
What are the key properties of 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 303.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 153364917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).