2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol

C7H10ClN3O2 — CID 80758347

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
SMILESCOc1ncc(Cl)c(NCCO)n1
InChIInChI=1S/C7H10ClN3O2/c1-13-7-10-4-5(8)6(11-7)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyMEVPHFDLEVOWEX-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.54
Rot. Bonds4

About 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol (PubChem CID 80758347) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
PubChem CID80758347
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
SMILESCOc1ncc(Cl)c(NCCO)n1
InChIInChI=1S/C7H10ClN3O2/c1-13-7-10-4-5(8)6(11-7)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyMEVPHFDLEVOWEX-UHFFFAOYSA-N
XLogP0.54
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
CID 112700846
methyl 6-[(5-chloro-2-methoxypyrimidin-4-yl)amino]hexanoate
CID 80753174
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 106306445
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
CID 113368832
5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103794340
N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80757950
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
CID 115733636
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 103766956

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol (CID 80758347) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol is COc1ncc(Cl)c(NCCO)n1.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
The InChIKey is MEVPHFDLEVOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-13-7-10-4-5(8)6(11-7)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol has a molecular weight of 203.63 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80758347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).