(2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine

C16H26N4O2 — CID 99855860

IUPAC(2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine
SMILESC[C@@H]1OCCN(c2cc(N3CCO[C@H](C)[C@H]3C)ncn2)[C@H]1C
InChIInChI=1S/C16H26N4O2/c1-11-13(3)21-7-5-19(11)15-9-16(18-10-17-15)20-6-8-22-14(4)12(20)2/h9-14H,5-8H2,1-4H3/t11-,12+,13-,14+
InChIKeyNIBDGNTVKKRPIV-KPWCQOOUSA-N
MW306.41 g/mol
LogP1.70
Rot. Bonds2

About (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine

(2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine (PubChem CID 99855860) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine.

Molecular Properties

Compound Name(2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine
PubChem CID99855860
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine
SMILESC[C@@H]1OCCN(c2cc(N3CCO[C@H](C)[C@H]3C)ncn2)[C@H]1C
InChIInChI=1S/C16H26N4O2/c1-11-13(3)21-7-5-19(11)15-9-16(18-10-17-15)20-6-8-22-14(4)12(20)2/h9-14H,5-8H2,1-4H3/t11-,12+,13-,14+
InChIKeyNIBDGNTVKKRPIV-KPWCQOOUSA-N
XLogP1.70
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine?
The IUPAC name of (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine (CID 99855860) is (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine.
What is the SMILES notation for (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine?
The canonical SMILES for (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine is C[C@@H]1OCCN(c2cc(N3CCO[C@H](C)[C@H]3C)ncn2)[C@H]1C.
What is the InChIKey of (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine?
The InChIKey is NIBDGNTVKKRPIV-KPWCQOOUSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-13(3)21-7-5-19(11)15-9-16(18-10-17-15)20-6-8-22-14(4)12(20)2/h9-14H,5-8H2,1-4H3/t11-,12+,13-,14+.
What are the key properties of (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine?
(2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine has a molecular weight of 306.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine is sourced from PubChem (CID 99855860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).