2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline

C20H26N4 — CID 112910704

IUPAC2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(N2CCC(C)CC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H26N4/c1-15-7-10-23(11-8-15)19-13-16(2)21-20(22-19)24-12-9-17-5-3-4-6-18(17)14-24/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyFLAFOBJYLHFHOM-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.58
Rot. Bonds2

About 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline

2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112910704) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID112910704
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(N2CCC(C)CC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H26N4/c1-15-7-10-23(11-8-15)19-13-16(2)21-20(22-19)24-12-9-17-5-3-4-6-18(17)14-24/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyFLAFOBJYLHFHOM-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Revaprazan
CID 204104
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
A-940894
CID 25071319
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
6-(4-Methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25128822

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline (CID 112910704) is 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline is Cc1cc(N2CCC(C)CC2)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is FLAFOBJYLHFHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-15-7-10-23(11-8-15)19-13-16(2)21-20(22-19)24-12-9-17-5-3-4-6-18(17)14-24/h3-6,13,15H,7-12,14H2,1-2H3.
What are the key properties of 2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline?
2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 322.46 g/mol, XLogP of 3.58, 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-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112910704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).