1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea

C15H24N4O2 — CID 94054024

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N4O2/c1-11-5-4-6-16-14(11)18-15(20)17-7-8-19-9-12(2)21-13(3)10-19/h4-6,12-13H,7-10H2,1-3H3,(H2,16,17,18,20)/t12-,13+
InChIKeyPDXYKHIJDJHQHO-BETUJISGSA-N
MW292.38 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 94054024) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID94054024
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N4O2/c1-11-5-4-6-16-14(11)18-15(20)17-7-8-19-9-12(2)21-13(3)10-19/h4-6,12-13H,7-10H2,1-3H3,(H2,16,17,18,20)/t12-,13+
InChIKeyPDXYKHIJDJHQHO-BETUJISGSA-N
XLogP1.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 154774201
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
CID 51944777
1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 167881883
1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
CID 97073055
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea
CID 47076572
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94030354
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea (CID 94054024) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is PDXYKHIJDJHQHO-BETUJISGSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-5-4-6-16-14(11)18-15(20)17-7-8-19-9-12(2)21-13(3)10-19/h4-6,12-13H,7-10H2,1-3H3,(H2,16,17,18,20)/t12-,13+.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 94054024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).