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

C22H24N4 — CID 54089583

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine
SMILESCc1nc(N(C)c2ccccc2)nc(N2CCc3ccccc3C2)c1C
InChIInChI=1S/C22H24N4/c1-16-17(2)23-22(25(3)20-11-5-4-6-12-20)24-21(16)26-14-13-18-9-7-8-10-19(18)15-26/h4-12H,13-15H2,1-3H3
InChIKeyMSXHETYOCUMRHN-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.42
Rot. Bonds3

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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine (PubChem CID 54089583) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine
PubChem CID54089583
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine
SMILESCc1nc(N(C)c2ccccc2)nc(N2CCc3ccccc3C2)c1C
InChIInChI=1S/C22H24N4/c1-16-17(2)23-22(25(3)20-11-5-4-6-12-20)24-21(16)26-14-13-18-9-7-8-10-19(18)15-26/h4-12H,13-15H2,1-3H3
InChIKeyMSXHETYOCUMRHN-UHFFFAOYSA-N
XLogP4.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine (CID 54089583) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine is Cc1nc(N(C)c2ccccc2)nc(N2CCc3ccccc3C2)c1C.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine?
The InChIKey is MSXHETYOCUMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-16-17(2)23-22(25(3)20-11-5-4-6-12-20)24-21(16)26-14-13-18-9-7-8-10-19(18)15-26/h4-12H,13-15H2,1-3H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine has a molecular weight of 344.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 54089583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).