2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

C16H18ClN3O — CID 114757208

IUPAC2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2cc(Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H18ClN3O/c17-13-10-14(18-11-16(6-7-16)8-9-21)20-15(19-13)12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,18,19,20)
InChIKeyATINIIMODSQXQM-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.37
Rot. Bonds6

About 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114757208) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114757208
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2cc(Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H18ClN3O/c17-13-10-14(18-11-16(6-7-16)8-9-21)20-15(19-13)12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,18,19,20)
InChIKeyATINIIMODSQXQM-UHFFFAOYSA-N
XLogP3.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757222
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid
CID 114756945
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 115914664
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 115914722
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (CID 114757208) is 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is OCCC1(CNc2cc(Cl)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is ATINIIMODSQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-13-10-14(18-11-16(6-7-16)8-9-21)20-15(19-13)12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,18,19,20).
What are the key properties of 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 303.79 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114757208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).