2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol

C7H10ClN3O — CID 86172010

IUPAC2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1ncnc(NCCO)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-5-6(8)7(9-2-3-12)11-4-10-5/h4,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyOXBZSFGKXFRTRX-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.84
Rot. Bonds3

About 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol

2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 86172010) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol
PubChem CID86172010
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1ncnc(NCCO)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-5-6(8)7(9-2-3-12)11-4-10-5/h4,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyOXBZSFGKXFRTRX-UHFFFAOYSA-N
XLogP0.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine
CID 135271004
3-((5-Chloro-6-(difluoromethyl)pyrimidin-4-yl)amino)propan-1-ol
CID 171390658
3-((5-Chloro-6-ethylpyrimidin-4-yl)amino)propan-1-ol
CID 21252662
5-chloro-N~4~-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine
CID 122558047
2-[[5-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 67876114
(2S)-1-[[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 162513921
1-[[5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-2-ol
CID 162513929
3-[[5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 162513940
2-[[5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 162514057
1-[[5-Chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 175179778
(2R)-2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 175780805
(2R)-1-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-2-ol
CID 175798716

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol (CID 86172010) is 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol is Cc1ncnc(NCCO)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is OXBZSFGKXFRTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-5-6(8)7(9-2-3-12)11-4-10-5/h4,12H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 187.63 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 86172010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).