[4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol

C18H22N4O — CID 166293633

IUPAC[4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol
SMILESCc1ccc2c(c1)c(CCNc1cc(C)nc(CO)n1)cn2C
InChIInChI=1S/C18H22N4O/c1-12-4-5-16-15(8-12)14(10-22(16)3)6-7-19-17-9-13(2)20-18(11-23)21-17/h4-5,8-10,23H,6-7,11H2,1-3H3,(H,19,20,21)
InChIKeyLZYGMMOMISJKBD-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.73
Rot. Bonds5

About [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol

[4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol (PubChem CID 166293633) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol
PubChem CID166293633
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol
SMILESCc1ccc2c(c1)c(CCNc1cc(C)nc(CO)n1)cn2C
InChIInChI=1S/C18H22N4O/c1-12-4-5-16-15(8-12)14(10-22(16)3)6-7-19-17-9-13(2)20-18(11-23)21-17/h4-5,8-10,23H,6-7,11H2,1-3H3,(H,19,20,21)
InChIKeyLZYGMMOMISJKBD-UHFFFAOYSA-N
XLogP2.73
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol (CID 166293633) is [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol is Cc1ccc2c(c1)c(CCNc1cc(C)nc(CO)n1)cn2C.
What is the InChIKey of [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol?
The InChIKey is LZYGMMOMISJKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-4-5-16-15(8-12)14(10-22(16)3)6-7-19-17-9-13(2)20-18(11-23)21-17/h4-5,8-10,23H,6-7,11H2,1-3H3,(H,19,20,21).
What are the key properties of [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol?
[4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol has a molecular weight of 310.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 166293633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).