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

C19H23N5O2 — CID 126428211

IUPAC2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2cc3ccccc3[nH]2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C19H23N5O2/c25-7-6-20-19-23-17(14-5-8-26-12-14)10-18(24-19)21-11-15-9-13-3-1-2-4-16(13)22-15/h1-4,9-10,14,22,25H,5-8,11-12H2,(H2,20,21,23,24)/t14-/m0/s1
InChIKeyJQHTZYRQBFAUEY-AWEZNQCLSA-N
MW353.43 g/mol
LogP2.48
Rot. Bonds7

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

2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 126428211) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID126428211
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2cc3ccccc3[nH]2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C19H23N5O2/c25-7-6-20-19-23-17(14-5-8-26-12-14)10-18(24-19)21-11-15-9-13-3-1-2-4-16(13)22-15/h1-4,9-10,14,22,25H,5-8,11-12H2,(H2,20,21,23,24)/t14-/m0/s1
InChIKeyJQHTZYRQBFAUEY-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

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

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Related Compounds

2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425999
2-[[4-[(3-chlorophenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430107
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425
2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol
CID 126451520
2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068356
2-[[4-(oxan-4-ylmethylamino)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119061466
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol
CID 126451906
2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068065
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634
2-[[4-[2-(3-methylthiophen-2-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118765909

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (CID 126428211) is 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is OCCNc1nc(NCc2cc3ccccc3[nH]2)cc([C@H]2CCOC2)n1.
What is the InChIKey of 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is JQHTZYRQBFAUEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-7-6-20-19-23-17(14-5-8-26-12-14)10-18(24-19)21-11-15-9-13-3-1-2-4-16(13)22-15/h1-4,9-10,14,22,25H,5-8,11-12H2,(H2,20,21,23,24)/t14-/m0/s1.
What are the key properties of 2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-(1H-indol-2-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-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126428211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).