2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

C17H29N5O2 — CID 126440634

IUPAC2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN1CCC(CNc2cc([C@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C17H29N5O2/c1-22-6-2-13(3-7-22)11-19-16-10-15(14-4-9-24-12-14)20-17(21-16)18-5-8-23/h10,13-14,23H,2-9,11-12H2,1H3,(H2,18,19,20,21)/t14-/m0/s1
InChIKeyINVYZDGSDNCEBV-AWEZNQCLSA-N
MW335.45 g/mol
LogP1.14
Rot. Bonds7

About 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 126440634) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID126440634
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN1CCC(CNc2cc([C@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C17H29N5O2/c1-22-6-2-13(3-7-22)11-19-16-10-15(14-4-9-24-12-14)20-17(21-16)18-5-8-23/h10,13-14,23H,2-9,11-12H2,1H3,(H2,18,19,20,21)/t14-/m0/s1
InChIKeyINVYZDGSDNCEBV-AWEZNQCLSA-N
XLogP1.14
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (CID 126440634) is 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is CN1CCC(CNc2cc([C@H]3CCOC3)nc(NCCO)n2)CC1.
What is the InChIKey of 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is INVYZDGSDNCEBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-22-6-2-13(3-7-22)11-19-16-10-15(14-4-9-24-12-14)20-17(21-16)18-5-8-23/h10,13-14,23H,2-9,11-12H2,1H3,(H2,18,19,20,21)/t14-/m0/s1.
What are the key properties of 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 335.45 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126440634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).