[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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Related Compounds

4-Amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol
CID 44592366
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
Fadraciclib
CID 24983461
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
CP-154526
CID 5311055
(3-(4-Imino-3,5,12-triazatetracyclo(9.7.0.0^(2,7).0^(13,18))octadeca-1(11),2,6,13,15,17-hexaen-16-yl)prop-2-yn-1-yl)dimethylamine
CID 165368936
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
Ethanol, 2,2'-((3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)propyl)imino)di-, hydrate (2:1)
CID 3068867
2-({12-Methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethan-1-ol
CID 9922100
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(2R)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl]amino}butan-1-ol
CID 25053130
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CID 25211051

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).