2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol

C18H22N4O — CID 11381333

IUPAC2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nccc(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H22N4O/c1-18(2,12-23)22-17-19-10-9-14(21-17)8-7-13-11-20-16-6-4-3-5-15(13)16/h3-6,9-11,20,23H,7-8,12H2,1-2H3,(H,19,21,22)
InChIKeyIIIYMEMUGWKAQG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds6

About 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 11381333) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID11381333
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nccc(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H22N4O/c1-18(2,12-23)22-17-19-10-9-14(21-17)8-7-13-11-20-16-6-4-3-5-15(13)16/h3-6,9-11,20,23H,7-8,12H2,1-2H3,(H,19,21,22)
InChIKeyIIIYMEMUGWKAQG-UHFFFAOYSA-N
XLogP2.93
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol (CID 11381333) is 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nccc(CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is IIIYMEMUGWKAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,12-23)22-17-19-10-9-14(21-17)8-7-13-11-20-16-6-4-3-5-15(13)16/h3-6,9-11,20,23H,7-8,12H2,1-2H3,(H,19,21,22).
What are the key properties of 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 11381333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).