1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea

C19H26N6O2 — CID 51122755

IUPAC1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1cnccn1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H26N6O2/c26-19(23-7-6-22-18-14-20-4-5-21-18)24-13-16-2-1-3-17(12-16)15-25-8-10-27-11-9-25/h1-5,12,14H,6-11,13,15H2,(H,21,22)(H2,23,24,26)
InChIKeyBNPVKZRHRSASKD-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.22
Rot. Bonds8

About 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea

1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea (PubChem CID 51122755) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
PubChem CID51122755
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1cnccn1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H26N6O2/c26-19(23-7-6-22-18-14-20-4-5-21-18)24-13-16-2-1-3-17(12-16)15-25-8-10-27-11-9-25/h1-5,12,14H,6-11,13,15H2,(H,21,22)(H2,23,24,26)
InChIKeyBNPVKZRHRSASKD-UHFFFAOYSA-N
XLogP1.22
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.22
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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55969887
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284
1-[3-(3-bromophenyl)propyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902149
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55814806

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea (CID 51122755) is 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea is O=C(NCCNc1cnccn1)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The InChIKey is BNPVKZRHRSASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-19(23-7-6-22-18-14-20-4-5-21-18)24-13-16-2-1-3-17(12-16)15-25-8-10-27-11-9-25/h1-5,12,14H,6-11,13,15H2,(H,21,22)(H2,23,24,26).
What are the key properties of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea has a molecular weight of 370.46 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea is sourced from PubChem (CID 51122755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).