2-(pyrimidin-4-ylamino)ethylurea

C7H11N5O — CID 83113277

IUPAC2-(pyrimidin-4-ylamino)ethylurea
SMILESNC(=O)NCCNc1ccncn1
InChIInChI=1S/C7H11N5O/c8-7(13)11-4-3-10-6-1-2-9-5-12-6/h1-2,5H,3-4H2,(H3,8,11,13)(H,9,10,12)
InChIKeyFJHHOQADTRHOJX-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.44
Rot. Bonds4

About 2-(pyrimidin-4-ylamino)ethylurea

2-(pyrimidin-4-ylamino)ethylurea (PubChem CID 83113277) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(pyrimidin-4-ylamino)ethylurea.

Molecular Properties

Compound Name2-(pyrimidin-4-ylamino)ethylurea
PubChem CID83113277
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-(pyrimidin-4-ylamino)ethylurea
SMILESNC(=O)NCCNc1ccncn1
InChIInChI=1S/C7H11N5O/c8-7(13)11-4-3-10-6-1-2-9-5-12-6/h1-2,5H,3-4H2,(H3,8,11,13)(H,9,10,12)
InChIKeyFJHHOQADTRHOJX-UHFFFAOYSA-N
XLogP-0.44
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
2-[(6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83118066
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
6-(pyrimidin-4-ylamino)hexan-1-ol
CID 107848711
2-[(3-aminopyrazin-2-yl)amino]ethylurea
CID 103744261
ethane;N-ethylpyrimidin-4-amine
CID 167491074
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
6-[2-(carbamoylamino)ethylamino]-N,N-dimethylpyridazine-3-carboxamide
CID 83114171
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
CID 106278325
N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
CID 83617917

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-4-ylamino)ethylurea?
The IUPAC name of 2-(pyrimidin-4-ylamino)ethylurea (CID 83113277) is 2-(pyrimidin-4-ylamino)ethylurea.
What is the SMILES notation for 2-(pyrimidin-4-ylamino)ethylurea?
The canonical SMILES for 2-(pyrimidin-4-ylamino)ethylurea is NC(=O)NCCNc1ccncn1.
What is the InChIKey of 2-(pyrimidin-4-ylamino)ethylurea?
The InChIKey is FJHHOQADTRHOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c8-7(13)11-4-3-10-6-1-2-9-5-12-6/h1-2,5H,3-4H2,(H3,8,11,13)(H,9,10,12).
What are the key properties of 2-(pyrimidin-4-ylamino)ethylurea?
2-(pyrimidin-4-ylamino)ethylurea has a molecular weight of 181.20 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-4-ylamino)ethylurea is sourced from PubChem (CID 83113277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).