[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol

C18H24N4O — CID 119046613

IUPAC[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
SMILESCc1cc(CN2CCc3ccccc3C2CO)nc(N(C)C)n1
InChIInChI=1S/C18H24N4O/c1-13-10-15(20-18(19-13)21(2)3)11-22-9-8-14-6-4-5-7-16(14)17(22)12-23/h4-7,10,17,23H,8-9,11-12H2,1-3H3
InChIKeyARODAVJWEOQQKK-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.94
Rot. Bonds4

About [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol

[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol (PubChem CID 119046613) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
PubChem CID119046613
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
SMILESCc1cc(CN2CCc3ccccc3C2CO)nc(N(C)C)n1
InChIInChI=1S/C18H24N4O/c1-13-10-15(20-18(19-13)21(2)3)11-22-9-8-14-6-4-5-7-16(14)17(22)12-23/h4-7,10,17,23H,8-9,11-12H2,1-3H3
InChIKeyARODAVJWEOQQKK-UHFFFAOYSA-N
XLogP1.94
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The IUPAC name of [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol (CID 119046613) is [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol.
What is the SMILES notation for [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The canonical SMILES for [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol is Cc1cc(CN2CCc3ccccc3C2CO)nc(N(C)C)n1.
What is the InChIKey of [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The InChIKey is ARODAVJWEOQQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-10-15(20-18(19-13)21(2)3)11-22-9-8-14-6-4-5-7-16(14)17(22)12-23/h4-7,10,17,23H,8-9,11-12H2,1-3H3.
What are the key properties of [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol has a molecular weight of 312.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol is sourced from PubChem (CID 119046613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).