1-(2-aminoethyl)-3-pyridin-4-ylurea

C8H12N4O — CID 82503728

IUPAC1-(2-aminoethyl)-3-pyridin-4-ylurea
SMILESNCCNC(=O)Nc1ccncc1
InChIInChI=1S/C8H12N4O/c9-3-6-11-8(13)12-7-1-4-10-5-2-7/h1-2,4-5H,3,6,9H2,(H2,10,11,12,13)
InChIKeyYYJCYFKIXDRRFK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.16
Rot. Bonds3

About 1-(2-aminoethyl)-3-pyridin-4-ylurea

1-(2-aminoethyl)-3-pyridin-4-ylurea (PubChem CID 82503728) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-pyridin-4-ylurea
PubChem CID82503728
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-(2-aminoethyl)-3-pyridin-4-ylurea
SMILESNCCNC(=O)Nc1ccncc1
InChIInChI=1S/C8H12N4O/c9-3-6-11-8(13)12-7-1-4-10-5-2-7/h1-2,4-5H,3,6,9H2,(H2,10,11,12,13)
InChIKeyYYJCYFKIXDRRFK-UHFFFAOYSA-N
XLogP0.16
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea
CID 59608955
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
1-amino-3-pyridin-4-ylurea
CID 15289585
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea
CID 51108571
1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 53498818
1-(2-aminoethyl)-3-(3-chloro-4-hydroxyphenyl)urea
CID 66653179
1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea
CID 69252499
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
CID 119873088
4-(2-aminoethylcarbamoylamino)-2-fluorobenzoic acid
CID 107796038
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(2-aminoethyl)-3-pyridin-4-ylurea (CID 82503728) is 1-(2-aminoethyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-pyridin-4-ylurea is NCCNC(=O)Nc1ccncc1.
What is the InChIKey of 1-(2-aminoethyl)-3-pyridin-4-ylurea?
The InChIKey is YYJCYFKIXDRRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-3-6-11-8(13)12-7-1-4-10-5-2-7/h1-2,4-5H,3,6,9H2,(H2,10,11,12,13).
What are the key properties of 1-(2-aminoethyl)-3-pyridin-4-ylurea?
1-(2-aminoethyl)-3-pyridin-4-ylurea has a molecular weight of 180.21 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 82503728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).