2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol

C10H16ClN3O2 — CID 106311266

IUPAC2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol
SMILESCc1cnc(Cl)nc1NCCCOCCO
InChIInChI=1S/C10H16ClN3O2/c1-8-7-13-10(11)14-9(8)12-3-2-5-16-6-4-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyDNKWNMKBNOSOAF-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.25
Rot. Bonds7

About 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol

2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol (PubChem CID 106311266) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol
PubChem CID106311266
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol
SMILESCc1cnc(Cl)nc1NCCCOCCO
InChIInChI=1S/C10H16ClN3O2/c1-8-7-13-10(11)14-9(8)12-3-2-5-16-6-4-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyDNKWNMKBNOSOAF-UHFFFAOYSA-N
XLogP1.25
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(2-chloro-5-nitropyrimidin-4-yl)amino]propoxy]ethanol
CID 106311255
2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine
CID 106196919
2-[3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propoxy]ethanol
CID 114171977
4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79072829
N-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 114156504
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195918
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 79076599
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80942779

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol (CID 106311266) is 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol is Cc1cnc(Cl)nc1NCCCOCCO.
What is the InChIKey of 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol?
The InChIKey is DNKWNMKBNOSOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-8-7-13-10(11)14-9(8)12-3-2-5-16-6-4-15/h7,15H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol?
2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol has a molecular weight of 245.71 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol is sourced from PubChem (CID 106311266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).