2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol

C10H17ClN4O2 — CID 133381559

IUPAC2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol
SMILESCN(CCO)c1ncc(Cl)c(N(C)CCO)n1
InChIInChI=1S/C10H17ClN4O2/c1-14(3-5-16)9-8(11)7-12-10(13-9)15(2)4-6-17/h7,16-17H,3-6H2,1-2H3
InChIKeyWURPGSVKMYOUCJ-UHFFFAOYSA-N
MW260.72 g/mol
LogP-0.01
Rot. Bonds6

About 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol

2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol (PubChem CID 133381559) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol
PubChem CID133381559
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol
SMILESCN(CCO)c1ncc(Cl)c(N(C)CCO)n1
InChIInChI=1S/C10H17ClN4O2/c1-14(3-5-16)9-8(11)7-12-10(13-9)15(2)4-6-17/h7,16-17H,3-6H2,1-2H3
InChIKeyWURPGSVKMYOUCJ-UHFFFAOYSA-N
XLogP-0.01
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol
CID 21429941
2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
CID 71863717
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 79631967
5-chloro-2-N,4-N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133344717
2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol
CID 116977677
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol (CID 133381559) is 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol is CN(CCO)c1ncc(Cl)c(N(C)CCO)n1.
What is the InChIKey of 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol?
The InChIKey is WURPGSVKMYOUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-14(3-5-16)9-8(11)7-12-10(13-9)15(2)4-6-17/h7,16-17H,3-6H2,1-2H3.
What are the key properties of 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol?
2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol has a molecular weight of 260.72 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 133381559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).