1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea

C8H12Cl2N6O2 — CID 54200707

IUPAC1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H12Cl2N6O2/c9-5-14-6(10)16-7(15-5)11-1-2-12-8(18)13-3-4-17/h17H,1-4H2,(H2,12,13,18)(H,11,14,15,16)
InChIKeyPPAPKUYKYUAZGL-UHFFFAOYSA-N
MW295.13 g/mol
LogP-0.12
Rot. Bonds6

About 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea

1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 54200707) has the molecular formula C8H12Cl2N6O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
PubChem CID54200707
Molecular FormulaC8H12Cl2N6O2
Molecular Weight295.13 g/mol
Exact Mass294.04
IUPAC Name1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H12Cl2N6O2/c9-5-14-6(10)16-7(15-5)11-1-2-12-8(18)13-3-4-17/h17H,1-4H2,(H2,12,13,18)(H,11,14,15,16)
InChIKeyPPAPKUYKYUAZGL-UHFFFAOYSA-N
XLogP-0.12
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea with MolForge

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Related Compounds

N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
CID 113410956
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
CID 3489053
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83113419
tert-butyl N-[2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 114518281
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 87239477
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea (CID 54200707) is 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is PPAPKUYKYUAZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N6O2/c9-5-14-6(10)16-7(15-5)11-1-2-12-8(18)13-3-4-17/h17H,1-4H2,(H2,12,13,18)(H,11,14,15,16).
What are the key properties of 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 295.13 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 54200707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).