1-(dimethylamino)-3-(pyridin-2-ylamino)urea

C8H13N5O — CID 23526167

IUPAC1-(dimethylamino)-3-(pyridin-2-ylamino)urea
SMILESCN(C)NC(=O)NNc1ccccn1
InChIInChI=1S/C8H13N5O/c1-13(2)12-8(14)11-10-7-5-3-4-6-9-7/h3-6H,1-2H3,(H,9,10)(H2,11,12,14)
InChIKeyBDZIONIRMJUSPO-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.18
Rot. Bonds3

About 1-(dimethylamino)-3-(pyridin-2-ylamino)urea

1-(dimethylamino)-3-(pyridin-2-ylamino)urea (PubChem CID 23526167) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(pyridin-2-ylamino)urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-(pyridin-2-ylamino)urea
PubChem CID23526167
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(dimethylamino)-3-(pyridin-2-ylamino)urea
SMILESCN(C)NC(=O)NNc1ccccn1
InChIInChI=1S/C8H13N5O/c1-13(2)12-8(14)11-10-7-5-3-4-6-9-7/h3-6H,1-2H3,(H,9,10)(H2,11,12,14)
InChIKeyBDZIONIRMJUSPO-UHFFFAOYSA-N
XLogP0.18
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-3-(pyridin-2-ylamino)urea
CID 10680176
1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea
CID 6611623
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide
CID 115638141
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
2-[2-hydroxyethyl(pentan-3-yl)amino]-N'-pyridin-2-ylacetohydrazide
CID 62014131
(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
CID 104876174
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
ethane;1-methyl-2-pyridin-2-ylhydrazine
CID 144520197
N',N'-dipropyl-N-pyridin-2-yloxamide
CID 108525916
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
methanol;N-methylpyridin-2-amine
CID 174971654
5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide
CID 59611645

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(pyridin-2-ylamino)urea?
The IUPAC name of 1-(dimethylamino)-3-(pyridin-2-ylamino)urea (CID 23526167) is 1-(dimethylamino)-3-(pyridin-2-ylamino)urea.
What is the SMILES notation for 1-(dimethylamino)-3-(pyridin-2-ylamino)urea?
The canonical SMILES for 1-(dimethylamino)-3-(pyridin-2-ylamino)urea is CN(C)NC(=O)NNc1ccccn1.
What is the InChIKey of 1-(dimethylamino)-3-(pyridin-2-ylamino)urea?
The InChIKey is BDZIONIRMJUSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13(2)12-8(14)11-10-7-5-3-4-6-9-7/h3-6H,1-2H3,(H,9,10)(H2,11,12,14).
What are the key properties of 1-(dimethylamino)-3-(pyridin-2-ylamino)urea?
1-(dimethylamino)-3-(pyridin-2-ylamino)urea has a molecular weight of 195.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(pyridin-2-ylamino)urea is sourced from PubChem (CID 23526167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).