2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol

C12H20ClN3O2 — CID 113400870

IUPAC2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(Cl)nc(COC)n1
InChIInChI=1S/C12H20ClN3O2/c1-3-4-5-16(6-7-17)12-8-10(13)14-11(15-12)9-18-2/h8,17H,3-7,9H2,1-2H3
InChIKeyVFLQVIYLINJSPM-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.88
Rot. Bonds8

About 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol

2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 113400870) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID113400870
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(Cl)nc(COC)n1
InChIInChI=1S/C12H20ClN3O2/c1-3-4-5-16(6-7-17)12-8-10(13)14-11(15-12)9-18-2/h8,17H,3-7,9H2,1-2H3
InChIKeyVFLQVIYLINJSPM-UHFFFAOYSA-N
XLogP1.88
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107482130
2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 10426184
2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 62481923
6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113400832
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 113400905
N-butyl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80948383
3-[(6-chloro-2-ethylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80936629
2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961851
2-[butyl-(5-methoxy-2-pyridinyl)amino]ethanol
CID 106504640
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 80939645
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
2-[butyl-(6-fluoro-2-pyridinyl)amino]ethanol
CID 61447347

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol (CID 113400870) is 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol is CCCCN(CCO)c1cc(Cl)nc(COC)n1.
What is the InChIKey of 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is VFLQVIYLINJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-3-4-5-16(6-7-17)12-8-10(13)14-11(15-12)9-18-2/h8,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol?
2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 273.76 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 113400870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).