[1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H22ClN5O — CID 133304134

IUPAC[1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCCc2c[nH]c3cc(Cl)ccc23)ncn1
InChIInChI=1S/C19H22ClN5O/c20-14-3-4-16-13(10-22-17(16)8-14)5-6-21-18-9-19(24-12-23-18)25-7-1-2-15(25)11-26/h3-4,8-10,12,15,22,26H,1-2,5-7,11H2,(H,21,23,24)
InChIKeyWWUUIEIWTKFPAQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.23
Rot. Bonds6

About [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133304134) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133304134
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name[1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCCc2c[nH]c3cc(Cl)ccc23)ncn1
InChIInChI=1S/C19H22ClN5O/c20-14-3-4-16-13(10-22-17(16)8-14)5-6-21-18-9-19(24-12-23-18)25-7-1-2-15(25)11-26/h3-4,8-10,12,15,22,26H,1-2,5-7,11H2,(H,21,23,24)
InChIKeyWWUUIEIWTKFPAQ-UHFFFAOYSA-N
XLogP3.23
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133390263
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CID 95763864
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
[1-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133348730
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
[1-[6-[1-(3-chloro-4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298672
[1-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133399563
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133304134) is [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCCc2c[nH]c3cc(Cl)ccc23)ncn1.
What is the InChIKey of [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is WWUUIEIWTKFPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-14-3-4-16-13(10-22-17(16)8-14)5-6-21-18-9-19(24-12-23-18)25-7-1-2-15(25)11-26/h3-4,8-10,12,15,22,26H,1-2,5-7,11H2,(H,21,23,24).
What are the key properties of [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 371.87 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133304134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).