6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine

C22H32N6 — CID 19145815

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
SMILESCC1(C)CC(Nc2ncnc(N3CCc4ccccc4C3)c2N)CC(C)(C)N1
InChIInChI=1S/C22H32N6/c1-21(2)11-17(12-22(3,4)27-21)26-19-18(23)20(25-14-24-19)28-10-9-15-7-5-6-8-16(15)13-28/h5-8,14,17,27H,9-13,23H2,1-4H3,(H,24,25,26)
InChIKeyGMTHAADHFUQVFT-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.34
Rot. Bonds3

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine (PubChem CID 19145815) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
PubChem CID19145815
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
SMILESCC1(C)CC(Nc2ncnc(N3CCc4ccccc4C3)c2N)CC(C)(C)N1
InChIInChI=1S/C22H32N6/c1-21(2)11-17(12-22(3,4)27-21)26-19-18(23)20(25-14-24-19)28-10-9-15-7-5-6-8-16(15)13-28/h5-8,14,17,27H,9-13,23H2,1-4H3,(H,24,25,26)
InChIKeyGMTHAADHFUQVFT-UHFFFAOYSA-N
XLogP3.34
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19140121
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 19147429
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 22528361
ethyl 1-[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142227
6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145827
6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145913
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80928300
6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145920
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19147525
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-2,3-diamine
CID 28818397

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine (CID 19145815) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine is CC1(C)CC(Nc2ncnc(N3CCc4ccccc4C3)c2N)CC(C)(C)N1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
The InChIKey is GMTHAADHFUQVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-21(2)11-17(12-22(3,4)27-21)26-19-18(23)20(25-14-24-19)28-10-9-15-7-5-6-8-16(15)13-28/h5-8,14,17,27H,9-13,23H2,1-4H3,(H,24,25,26).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine has a molecular weight of 380.54 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19145815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).