2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline

C18H22N4 — CID 112909262

IUPAC2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(N2CCCC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H22N4/c1-14-12-17(21-9-4-5-10-21)20-18(19-14)22-11-8-15-6-2-3-7-16(15)13-22/h2-3,6-7,12H,4-5,8-11,13H2,1H3
InChIKeyTUJXGRWSZWWUQI-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.95
Rot. Bonds2

About 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline

2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 112909262) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID112909262
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(N2CCCC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H22N4/c1-14-12-17(21-9-4-5-10-21)20-18(19-14)22-11-8-15-6-2-3-7-16(15)13-22/h2-3,6-7,12H,4-5,8-11,13H2,1H3
InChIKeyTUJXGRWSZWWUQI-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112909449
2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 112910704
2-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920315
2-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920326
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 46507574
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80767534
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112920457
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline (CID 112909262) is 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline is Cc1cc(N2CCCC2)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is TUJXGRWSZWWUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-14-12-17(21-9-4-5-10-21)20-18(19-14)22-11-8-15-6-2-3-7-16(15)13-22/h2-3,6-7,12H,4-5,8-11,13H2,1H3.
What are the key properties of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline?
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 294.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112909262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).