4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C15H23N5O3 — CID 94018304

IUPAC4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESC[C@@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)O1
InChIInChI=1S/C15H23N5O3/c1-10-8-20(9-11(2)23-10)6-5-17-13-12(7-16)14(21)19(4)15(22)18(13)3/h10-11,17H,5-6,8-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyHOKCJFJTDZHDJK-GHMZBOCLSA-N
MW321.38 g/mol
LogP-0.52
Rot. Bonds4

About 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 94018304) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID94018304
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESC[C@@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)O1
InChIInChI=1S/C15H23N5O3/c1-10-8-20(9-11(2)23-10)6-5-17-13-12(7-16)14(21)19(4)15(22)18(13)3/h10-11,17H,5-6,8-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyHOKCJFJTDZHDJK-GHMZBOCLSA-N
XLogP-0.52
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 94018304) is 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is C[C@@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)O1.
What is the InChIKey of 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is HOKCJFJTDZHDJK-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-8-20(9-11(2)23-10)6-5-17-13-12(7-16)14(21)19(4)15(22)18(13)3/h10-11,17H,5-6,8-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 94018304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).