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

C19H19N5 — CID 19147429

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2)ncnc1N1CCc2ccccc2C1
InChIInChI=1S/C19H19N5/c20-17-18(23-16-8-2-1-3-9-16)21-13-22-19(17)24-11-10-14-6-4-5-7-15(14)12-24/h1-9,13H,10-12,20H2,(H,21,22,23)
InChIKeyKLOCPQHULMKMQP-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.37
Rot. Bonds3

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

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine (PubChem CID 19147429) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
PubChem CID19147429
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2)ncnc1N1CCc2ccccc2C1
InChIInChI=1S/C19H19N5/c20-17-18(23-16-8-2-1-3-9-16)21-13-22-19(17)24-11-10-14-6-4-5-7-15(14)12-24/h1-9,13H,10-12,20H2,(H,21,22,23)
InChIKeyKLOCPQHULMKMQP-UHFFFAOYSA-N
XLogP3.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
4-N-(1,3-benzodioxol-5-yl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 22542124
dimethyl 5-[[5-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547648
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 19147492
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19147525
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 22547247
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80928300
6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 22543223
6-(azepan-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19137872
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19145815

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine (CID 19147429) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine is Nc1c(Nc2ccccc2)ncnc1N1CCc2ccccc2C1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine?
The InChIKey is KLOCPQHULMKMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c20-17-18(23-16-8-2-1-3-9-16)21-13-22-19(17)24-11-10-14-6-4-5-7-15(14)12-24/h1-9,13H,10-12,20H2,(H,21,22,23).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine has a molecular weight of 317.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 19147429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).