6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

C22H24N4O3 — CID 112861254

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(N3CCc4ccccc4C3)ncn2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O3/c1-27-18-10-17(11-19(28-2)22(18)29-3)25-20-12-21(24-14-23-20)26-9-8-15-6-4-5-7-16(15)13-26/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24,25)
InChIKeyROSZTJJBVWBQRW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.81
Rot. Bonds6

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (PubChem CID 112861254) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
PubChem CID112861254
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(N3CCc4ccccc4C3)ncn2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O3/c1-27-18-10-17(11-19(28-2)22(18)29-3)25-20-12-21(24-14-23-20)26-9-8-15-6-4-5-7-16(15)13-26/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24,25)
InChIKeyROSZTJJBVWBQRW-UHFFFAOYSA-N
XLogP3.81
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 112863738
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112861244
N-[3-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362968
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
N-(2,6-difluorophenyl)-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863744
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 112873848
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117093194
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (CID 112861254) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is COc1cc(Nc2cc(N3CCc4ccccc4C3)ncn2)cc(OC)c1OC.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is ROSZTJJBVWBQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-27-18-10-17(11-19(28-2)22(18)29-3)25-20-12-21(24-14-23-20)26-9-8-15-6-4-5-7-16(15)13-26/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24,25).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112861254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).