2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

C17H23N5O2 — CID 126437837

IUPAC2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN(Cc1cccnc1)c1cc([C@H]2CCOC2)nc(NCCO)n1
InChIInChI=1S/C17H23N5O2/c1-22(11-13-3-2-5-18-10-13)16-9-15(14-4-8-24-12-14)20-17(21-16)19-6-7-23/h2-3,5,9-10,14,23H,4,6-8,11-12H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyURWHPARYAYATFV-AWEZNQCLSA-N
MW329.40 g/mol
LogP1.42
Rot. Bonds7

About 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 126437837) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID126437837
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN(Cc1cccnc1)c1cc([C@H]2CCOC2)nc(NCCO)n1
InChIInChI=1S/C17H23N5O2/c1-22(11-13-3-2-5-18-10-13)16-9-15(14-4-8-24-12-14)20-17(21-16)19-6-7-23/h2-3,5,9-10,14,23H,4,6-8,11-12H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyURWHPARYAYATFV-AWEZNQCLSA-N
XLogP1.42
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
CID 119073055
2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126442629
2-[[4-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425716
2-[[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425143
2-[[4-[methyl(oxan-4-yl)amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060055
1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
CID 126430569
2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068356
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260
2-[[4-[(3-chlorophenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430107
4-N-butyl-6-[(3S)-oxolan-3-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 126424556
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126435809

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (CID 126437837) is 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is CN(Cc1cccnc1)c1cc([C@H]2CCOC2)nc(NCCO)n1.
What is the InChIKey of 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is URWHPARYAYATFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22(11-13-3-2-5-18-10-13)16-9-15(14-4-8-24-12-14)20-17(21-16)19-6-7-23/h2-3,5,9-10,14,23H,4,6-8,11-12H2,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 329.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126437837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).