2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol

C18H26ClN5O2 — CID 143609880

IUPAC2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol
SMILESCNCCO.NC1CCCN(c2cc(-c3cc(Cl)ccc3O)ncn2)C1
InChIInChI=1S/C15H17ClN4O.C3H9NO/c16-10-3-4-14(21)12(6-10)13-7-15(19-9-18-13)20-5-1-2-11(17)8-20;1-4-2-3-5/h3-4,6-7,9,11,21H,1-2,5,8,17H2;4-5H,2-3H2,1H3
InChIKeyVXVDAFAQFHOBGD-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.63
Rot. Bonds4

About 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol

2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol (PubChem CID 143609880) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol.

Molecular Properties

Compound Name2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol
PubChem CID143609880
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol
SMILESCNCCO.NC1CCCN(c2cc(-c3cc(Cl)ccc3O)ncn2)C1
InChIInChI=1S/C15H17ClN4O.C3H9NO/c16-10-3-4-14(21)12(6-10)13-7-15(19-9-18-13)20-5-1-2-11(17)8-20;1-4-2-3-5/h3-4,6-7,9,11,21H,1-2,5,8,17H2;4-5H,2-3H2,1H3
InChIKeyVXVDAFAQFHOBGD-UHFFFAOYSA-N
XLogP1.63
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-(3-Chlorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44203732
4-chloro-2-[[[2-[[(2R)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
CID 71579160
4-chloro-2-[[[2-[[(3R)-2-hydroxypentan-3-yl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
CID 71579248
4-[4-[[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]amino]butyl]phenol
CID 71602693
2-[2-Amino-6-(4-chloro-phenylamino)-pyrimidin-4-yl]-4-chloro-phenol
CID 136053632
2-(4-Methyl-6-piperazin-1-ylpyrimidin-2-YL)phenol
CID 749408
2-(4-Methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol hydrochloride
CID 136238069
2-(4-Methyl-6-{[3-(4-morpholinyl)propyl]amino}-2-pyrimidinyl)phenol
CID 3565841
2-Aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-phenyl pyrimidine
CID 399970
2-[4-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propylamino]-6-methylpyrimidin-2-yl]phenol
CID 136772128
2-chloro-6-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]phenol
CID 138020211
(2-Chloro-6-{[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino}pyridin-4-yl)methanol
CID 90159460

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol?
The IUPAC name of 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol (CID 143609880) is 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol.
What is the SMILES notation for 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol?
The canonical SMILES for 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol is CNCCO.NC1CCCN(c2cc(-c3cc(Cl)ccc3O)ncn2)C1.
What is the InChIKey of 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol?
The InChIKey is VXVDAFAQFHOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O.C3H9NO/c16-10-3-4-14(21)12(6-10)13-7-15(19-9-18-13)20-5-1-2-11(17)8-20;1-4-2-3-5/h3-4,6-7,9,11,21H,1-2,5,8,17H2;4-5H,2-3H2,1H3.
What are the key properties of 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol?
2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol has a molecular weight of 379.89 g/mol, XLogP of 1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-aminopiperidin-1-yl)pyrimidin-4-yl]-4-chlorophenol;2-(methylamino)ethanol is sourced from PubChem (CID 143609880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).