2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine

C24H30N8 — CID 46701254

IUPAC2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1cccc(Nc2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)CC3)n1
InChIInChI=1S/C24H30N8/c1-17-4-3-5-21(26-17)27-20-7-6-18-8-9-32(16-19(18)14-20)23-15-22(28-24(25)29-23)31-12-10-30(2)11-13-31/h3-7,14-15H,8-13,16H2,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyUGUGHZZSMSBDCU-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.82
Rot. Bonds4

About 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine

2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 46701254) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID46701254
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1cccc(Nc2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)CC3)n1
InChIInChI=1S/C24H30N8/c1-17-4-3-5-21(26-17)27-20-7-6-18-8-9-32(16-19(18)14-20)23-15-22(28-24(25)29-23)31-12-10-30(2)11-13-31/h3-7,14-15H,8-13,16H2,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyUGUGHZZSMSBDCU-UHFFFAOYSA-N
XLogP2.82
TPSA86.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]-1-methylpyridin-2-one
CID 46701523
2-[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112880942
5-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylpyridine-2-carboxamide
CID 59496676
4-[1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]benzamide
CID 46701524
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80932163
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 112873848
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427087
N-(1,3-benzodioxol-5-yl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873895
6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112920388

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine (CID 46701254) is 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine is Cc1cccc(Nc2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)CC3)n1.
What is the InChIKey of 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is UGUGHZZSMSBDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-17-4-3-5-21(26-17)27-20-7-6-18-8-9-32(16-19(18)14-20)23-15-22(28-24(25)29-23)31-12-10-30(2)11-13-31/h3-7,14-15H,8-13,16H2,1-2H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine?
2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 430.56 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 46701254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).