1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea

C12H21N5O — CID 127579278

IUPAC1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)7-6-13-12(18)16-11-9-14-10(3)8-15-11/h8-9H,4-7H2,1-3H3,(H2,13,15,16,18)
InChIKeyLQWADZTWMUXXMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.25
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea

1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 127579278) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID127579278
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)7-6-13-12(18)16-11-9-14-10(3)8-15-11/h8-9H,4-7H2,1-3H3,(H2,13,15,16,18)
InChIKeyLQWADZTWMUXXMD-UHFFFAOYSA-N
XLogP1.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 141083687
1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
CID 55925113
N-(5-methylpyrazin-2-yl)hexanamide
CID 59059045
methane;(5-methylpyrazin-2-yl)urea
CID 158566840
1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea
CID 10422499
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CID 108868960
1-[2-(diethylamino)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877258
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433944
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CID 60545632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea (CID 127579278) is 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea is CCN(CC)CCNC(=O)Nc1cnc(C)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is LQWADZTWMUXXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17(5-2)7-6-13-12(18)16-11-9-14-10(3)8-15-11/h8-9H,4-7H2,1-3H3,(H2,13,15,16,18).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea?
1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 127579278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).