2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol

C12H13ClN4O2 — CID 56804897

IUPAC2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
SMILESNc1nc(Cl)cc(Nc2ccc(OCCO)cc2)n1
InChIInChI=1S/C12H13ClN4O2/c13-10-7-11(17-12(14)16-10)15-8-1-3-9(4-2-8)19-6-5-18/h1-4,7,18H,5-6H2,(H3,14,15,16,17)
InChIKeyYGJKGFDNJJUXNE-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.83
Rot. Bonds5

About 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol

2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol (PubChem CID 56804897) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
PubChem CID56804897
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
SMILESNc1nc(Cl)cc(Nc2ccc(OCCO)cc2)n1
InChIInChI=1S/C12H13ClN4O2/c13-10-7-11(17-12(14)16-10)15-8-1-3-9(4-2-8)19-6-5-18/h1-4,7,18H,5-6H2,(H3,14,15,16,17)
InChIKeyYGJKGFDNJJUXNE-UHFFFAOYSA-N
XLogP1.83
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 86753852
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine
CID 135201952
N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide
CID 47464161
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
CID 161467672
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile
CID 80734947
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 58626180
6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80735300
6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine
CID 167758081

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
The IUPAC name of 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol (CID 56804897) is 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol is Nc1nc(Cl)cc(Nc2ccc(OCCO)cc2)n1.
What is the InChIKey of 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
The InChIKey is YGJKGFDNJJUXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-10-7-11(17-12(14)16-10)15-8-1-3-9(4-2-8)19-6-5-18/h1-4,7,18H,5-6H2,(H3,14,15,16,17).
What are the key properties of 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol has a molecular weight of 280.72 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol is sourced from PubChem (CID 56804897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).