N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine

C15H23N3O2 — CID 124970450

IUPACN-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine
SMILESCN(Cc1ccnc([C@H]2CCCO2)n1)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-18(13-5-9-19-10-6-13)11-12-4-7-16-15(17-12)14-3-2-8-20-14/h4,7,13-14H,2-3,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyJQCZBSBOBRWAHS-CQSZACIVSA-N
MW277.37 g/mol
LogP1.94
Rot. Bonds4

About N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine

N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine (PubChem CID 124970450) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine
PubChem CID124970450
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine
SMILESCN(Cc1ccnc([C@H]2CCCO2)n1)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-18(13-5-9-19-10-6-13)11-12-4-7-16-15(17-12)14-3-2-8-20-14/h4,7,13-14H,2-3,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyJQCZBSBOBRWAHS-CQSZACIVSA-N
XLogP1.94
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine (CID 124970450) is N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine is CN(Cc1ccnc([C@H]2CCCO2)n1)C1CCOCC1.
What is the InChIKey of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine?
The InChIKey is JQCZBSBOBRWAHS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(13-5-9-19-10-6-13)11-12-4-7-16-15(17-12)14-3-2-8-20-14/h4,7,13-14H,2-3,5-6,8-11H2,1H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine?
N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine has a molecular weight of 277.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine is sourced from PubChem (CID 124970450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).