2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

C19H23N5O2 — CID 126425999

IUPAC2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2cccc3[nH]ccc23)cc([C@H]2CCOC2)n1
InChIInChI=1S/C19H23N5O2/c25-8-7-21-19-23-17(14-5-9-26-12-14)10-18(24-19)22-11-13-2-1-3-16-15(13)4-6-20-16/h1-4,6,10,14,20,25H,5,7-9,11-12H2,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyPJTWMKIHGWECTR-AWEZNQCLSA-N
MW353.43 g/mol
LogP2.48
Rot. Bonds7

About 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 126425999) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID126425999
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2cccc3[nH]ccc23)cc([C@H]2CCOC2)n1
InChIInChI=1S/C19H23N5O2/c25-8-7-21-19-23-17(14-5-9-26-12-14)10-18(24-19)22-11-13-2-1-3-16-15(13)4-6-20-16/h1-4,6,10,14,20,25H,5,7-9,11-12H2,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyPJTWMKIHGWECTR-AWEZNQCLSA-N
XLogP2.48
TPSA95.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (CID 126425999) is 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is OCCNc1nc(NCc2cccc3[nH]ccc23)cc([C@H]2CCOC2)n1.
What is the InChIKey of 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is PJTWMKIHGWECTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-8-7-21-19-23-17(14-5-9-26-12-14)10-18(24-19)22-11-13-2-1-3-16-15(13)4-6-20-16/h1-4,6,10,14,20,25H,5,7-9,11-12H2,(H2,21,22,23,24)/t14-/m0/s1.
What are the key properties of 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 353.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126425999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).