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

C10H16ClN3O2 — CID 80753262

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCOc1ncc(Cl)c(N(CCO)C(C)C)n1
InChIInChI=1S/C10H16ClN3O2/c1-7(2)14(4-5-15)9-8(11)6-12-10(13-9)16-3/h6-7,15H,4-5H2,1-3H3
InChIKeyRTTIHSTXDKXYAR-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.35
Rot. Bonds5

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

2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 80753262) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol
PubChem CID80753262
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCOc1ncc(Cl)c(N(CCO)C(C)C)n1
InChIInChI=1S/C10H16ClN3O2/c1-7(2)14(4-5-15)9-8(11)6-12-10(13-9)16-3/h6-7,15H,4-5H2,1-3H3
InChIKeyRTTIHSTXDKXYAR-UHFFFAOYSA-N
XLogP1.35
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]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

2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
CID 80752006
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
2-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-4-methylpentan-1-ol
CID 136532469
2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol
CID 80752339
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 80758708
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80711299
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine
CID 80753181
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 80758520
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol (CID 80753262) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol is COc1ncc(Cl)c(N(CCO)C(C)C)n1.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is RTTIHSTXDKXYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7(2)14(4-5-15)9-8(11)6-12-10(13-9)16-3/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol?
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 245.71 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 80753262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).