2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea

C7H11ClN6O — CID 83117242

IUPAC2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea
SMILESNC(=O)NCCNc1nc(N)ncc1Cl
InChIInChI=1S/C7H11ClN6O/c8-4-3-13-6(9)14-5(4)11-1-2-12-7(10)15/h3H,1-2H2,(H3,10,12,15)(H3,9,11,13,14)
InChIKeyMCTQXAGDDJHGDP-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.21
Rot. Bonds4

About 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea

2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea (PubChem CID 83117242) has the molecular formula C7H11ClN6O and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea
PubChem CID83117242
Molecular FormulaC7H11ClN6O
Molecular Weight230.66 g/mol
Exact Mass230.07
IUPAC Name2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea
SMILESNC(=O)NCCNc1nc(N)ncc1Cl
InChIInChI=1S/C7H11ClN6O/c8-4-3-13-6(9)14-5(4)11-1-2-12-7(10)15/h3H,1-2H2,(H3,10,12,15)(H3,9,11,13,14)
InChIKeyMCTQXAGDDJHGDP-UHFFFAOYSA-N
XLogP-0.21
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118129
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80819921
2-[(3-aminopyrazin-2-yl)amino]ethylurea
CID 103744261
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823116
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea (CID 83117242) is 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea is NC(=O)NCCNc1nc(N)ncc1Cl.
What is the InChIKey of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea?
The InChIKey is MCTQXAGDDJHGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN6O/c8-4-3-13-6(9)14-5(4)11-1-2-12-7(10)15/h3H,1-2H2,(H3,10,12,15)(H3,9,11,13,14).
What are the key properties of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea?
2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea has a molecular weight of 230.66 g/mol, XLogP of -0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea is sourced from PubChem (CID 83117242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).