3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone

C20H26N4O — CID 109350765

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone
SMILESCCCN(CCC)c1cc(C(=O)N2CCc3ccccc3C2)ncn1
InChIInChI=1S/C20H26N4O/c1-3-10-23(11-4-2)19-13-18(21-15-22-19)20(25)24-12-9-16-7-5-6-8-17(16)14-24/h5-8,13,15H,3-4,9-12,14H2,1-2H3
InChIKeyCBDFZHCXUHSZQV-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.30
Rot. Bonds6

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone (PubChem CID 109350765) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone
PubChem CID109350765
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone
SMILESCCCN(CCC)c1cc(C(=O)N2CCc3ccccc3C2)ncn1
InChIInChI=1S/C20H26N4O/c1-3-10-23(11-4-2)19-13-18(21-15-22-19)20(25)24-12-9-16-7-5-6-8-17(16)14-24/h5-8,13,15H,3-4,9-12,14H2,1-2H3
InChIKeyCBDFZHCXUHSZQV-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[6-[4-(dimethylamino)anilino]pyrimidin-4-yl]methanone
CID 109350819
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109350750
[6-[benzyl(ethyl)amino]pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120502
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371727
[6-(4-chloroanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350790
[6-(2-chloroanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350788
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
[6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350792
[3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 5240087
[6-(3,4-difluoroanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350839
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318902

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone (CID 109350765) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone is CCCN(CCC)c1cc(C(=O)N2CCc3ccccc3C2)ncn1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone?
The InChIKey is CBDFZHCXUHSZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-10-23(11-4-2)19-13-18(21-15-22-19)20(25)24-12-9-16-7-5-6-8-17(16)14-24/h5-8,13,15H,3-4,9-12,14H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone has a molecular weight of 338.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109350765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).