N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine

C20H28N4O2 — CID 112863711

IUPACN-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCc3cc(OC)c(OC)cc3C2)ncn1
InChIInChI=1S/C20H28N4O2/c1-5-6-8-23(2)19-12-20(22-14-21-19)24-9-7-15-10-17(25-3)18(26-4)11-16(15)13-24/h10-12,14H,5-9,13H2,1-4H3
InChIKeyGUIXVBWJIDPAPN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.29
Rot. Bonds7

About N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine

N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 112863711) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine
PubChem CID112863711
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCc3cc(OC)c(OC)cc3C2)ncn1
InChIInChI=1S/C20H28N4O2/c1-5-6-8-23(2)19-12-20(22-14-21-19)24-9-7-15-10-17(25-3)18(26-4)11-16(15)13-24/h10-12,14H,5-9,13H2,1-4H3
InChIKeyGUIXVBWJIDPAPN-UHFFFAOYSA-N
XLogP3.29
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[butyl(methyl)amino]pyrazin-2-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109287203
N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine
CID 112862664
N-butyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 109216819
N-butyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 109195041
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyrimidine-4-carboxamide
CID 109338510
N-butyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidine-4-carboxamide
CID 109311171
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpyrimidin-2-amine
CID 112899186
4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464184
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 24694849
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341073
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine (CID 112863711) is N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine is CCCCN(C)c1cc(N2CCc3cc(OC)c(OC)cc3C2)ncn1.
What is the InChIKey of N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is GUIXVBWJIDPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-6-8-23(2)19-12-20(22-14-21-19)24-9-7-15-10-17(25-3)18(26-4)11-16(15)13-24/h10-12,14H,5-9,13H2,1-4H3.
What are the key properties of N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine?
N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112863711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).