N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide

C19H24N4O2 — CID 144655418

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide
SMILESCOC(CNC(=O)c1cc(C)ncn1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c1-14-9-18(22-13-21-14)19(24)20-10-17(25-2)12-23-8-7-15-5-3-4-6-16(15)11-23/h3-6,9,13,17H,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyWWBVYUWUXQWJEF-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.59
Rot. Bonds6

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 144655418) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide
PubChem CID144655418
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide
SMILESCOC(CNC(=O)c1cc(C)ncn1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c1-14-9-18(22-13-21-14)19(24)20-10-17(25-2)12-23-8-7-15-5-3-4-6-16(15)11-23/h3-6,9,13,17H,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyWWBVYUWUXQWJEF-UHFFFAOYSA-N
XLogP1.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(3-methoxycyclobutyl)methyl]pyrimidine-4-carboxamide
CID 147633885
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 118553840
potassium [6-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]pyrimidin-4-yl]azanide
CID 156884819
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)amino]pyrimidine-4-carboxamide
CID 123175751
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide
CID 123860416
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 146253808
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(3-hydroxycyclobutyl)amino]pyrimidine-4-carboxamide
CID 123172921
6-[(4-acetamidocyclohexyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553957
6-(1-acetylpiperidin-4-yl)oxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 123459655
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide
CID 146843257
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 123198420
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide
CID 147382402

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide (CID 144655418) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide is COC(CNC(=O)c1cc(C)ncn1)CN1CCc2ccccc2C1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is WWBVYUWUXQWJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-9-18(22-13-21-14)19(24)20-10-17(25-2)12-23-8-7-15-5-3-4-6-16(15)11-23/h3-6,9,13,17H,7-8,10-12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 144655418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).