1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile

C18H25N5O2 — CID 129478741

IUPAC1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile
SMILESCN(C)c1nccc([C@@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-22(2)17-20-9-6-14(21-17)15-12-23(10-11-25-15)16(24)18(13-19)7-4-3-5-8-18/h6,9,15H,3-5,7-8,10-12H2,1-2H3/t15-/m0/s1
InChIKeyLTKKBQKRDHTRQJ-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.92
Rot. Bonds3

About 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile

1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 129478741) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile
PubChem CID129478741
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile
SMILESCN(C)c1nccc([C@@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-22(2)17-20-9-6-14(21-17)15-12-23(10-11-25-15)16(24)18(13-19)7-4-3-5-8-18/h6,9,15H,3-5,7-8,10-12H2,1-2H3/t15-/m0/s1
InChIKeyLTKKBQKRDHTRQJ-HNNXBMFYSA-N
XLogP1.92
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile (CID 129478741) is 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile is CN(C)c1nccc([C@@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)n1.
What is the InChIKey of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is LTKKBQKRDHTRQJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22(2)17-20-9-6-14(21-17)15-12-23(10-11-25-15)16(24)18(13-19)7-4-3-5-8-18/h6,9,15H,3-5,7-8,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile?
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 129478741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).