2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline

C26H30N6 — CID 142224109

IUPAC2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline
SMILESC=C(C1CCCN(C2=NC(c3ccncn3)=CC(=C)N2C)C1)N1CCc2ccccc2C1
InChIInChI=1S/C26H30N6/c1-19-15-25(24-10-12-27-18-28-24)29-26(30(19)3)32-13-6-9-22(16-32)20(2)31-14-11-21-7-4-5-8-23(21)17-31/h4-5,7-8,10,12,15,18,22H,1-2,6,9,11,13-14,16-17H2,3H3
InChIKeyDGAPHXTXNZNERO-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.92
Rot. Bonds3

About 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline

2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 142224109) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline
PubChem CID142224109
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline
SMILESC=C(C1CCCN(C2=NC(c3ccncn3)=CC(=C)N2C)C1)N1CCc2ccccc2C1
InChIInChI=1S/C26H30N6/c1-19-15-25(24-10-12-27-18-28-24)29-26(30(19)3)32-13-6-9-22(16-32)20(2)31-14-11-21-7-4-5-8-23(21)17-31/h4-5,7-8,10,12,15,18,22H,1-2,6,9,11,13-14,16-17H2,3H3
InChIKeyDGAPHXTXNZNERO-UHFFFAOYSA-N
XLogP3.92
TPSA47.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-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-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142223992
1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
CID 142238726
2-[3-[1-(4-fluoro-2-methylphenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
CID 142238721
[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-3-yl]-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)methanone
CID 142238752
3,4-dihydro-2H-quinolin-1-yl-[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 142238753
5-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53204011
3-chloro-N-[1-[1-[4-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-1-methyl-6-methylidenepyrimidin-2-yl]piperidin-3-yl]ethenyl]aniline
CID 142238681
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
[1-(2-tert-butylpyrimidin-4-yl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 172881484
3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070456
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109259645
3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone
CID 91951959

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline (CID 142224109) is 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline is C=C(C1CCCN(C2=NC(c3ccncn3)=CC(=C)N2C)C1)N1CCc2ccccc2C1.
What is the InChIKey of 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is DGAPHXTXNZNERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-19-15-25(24-10-12-27-18-28-24)29-26(30(19)3)32-13-6-9-22(16-32)20(2)31-14-11-21-7-4-5-8-23(21)17-31/h4-5,7-8,10,12,15,18,22H,1-2,6,9,11,13-14,16-17H2,3H3.
What are the key properties of 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline?
2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 426.57 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142224109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).