1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea

C15H26N6O2 — CID 154774201

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
SMILESCC1CN(CCNC(=O)NCCNc2ncccn2)CC(C)O1
InChIInChI=1S/C15H26N6O2/c1-12-10-21(11-13(2)23-12)9-8-20-15(22)19-7-6-18-14-16-4-3-5-17-14/h3-5,12-13H,6-11H2,1-2H3,(H,16,17,18)(H2,19,20,22)
InChIKeySNTQFHZORBIOIH-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.30
Rot. Bonds7

About 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea

1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea (PubChem CID 154774201) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
PubChem CID154774201
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
SMILESCC1CN(CCNC(=O)NCCNc2ncccn2)CC(C)O1
InChIInChI=1S/C15H26N6O2/c1-12-10-21(11-13(2)23-12)9-8-20-15(22)19-7-6-18-14-16-4-3-5-17-14/h3-5,12-13H,6-11H2,1-2H3,(H,16,17,18)(H2,19,20,22)
InChIKeySNTQFHZORBIOIH-UHFFFAOYSA-N
XLogP0.30
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]butanamide
CID 94822505
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94030354
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95132243
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 97225657
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine
CID 97093099
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 167881883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea (CID 154774201) is 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea is CC1CN(CCNC(=O)NCCNc2ncccn2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The InChIKey is SNTQFHZORBIOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-12-10-21(11-13(2)23-12)9-8-20-15(22)19-7-6-18-14-16-4-3-5-17-14/h3-5,12-13H,6-11H2,1-2H3,(H,16,17,18)(H2,19,20,22).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea has a molecular weight of 322.41 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea is sourced from PubChem (CID 154774201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).