[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C18H22Cl2N4O — CID 133307782

IUPAC[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCC(Nc1cc(N2CCCC(CO)C2)ncn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-12(14-5-2-6-15(19)18(14)20)23-16-8-17(22-11-21-16)24-7-3-4-13(9-24)10-25/h2,5-6,8,11-13,25H,3-4,7,9-10H2,1H3,(H,21,22,23)
InChIKeyBMKZADPDUGMWKP-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.17
Rot. Bonds5

About [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133307782) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133307782
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCC(Nc1cc(N2CCCC(CO)C2)ncn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-12(14-5-2-6-15(19)18(14)20)23-16-8-17(22-11-21-16)24-7-3-4-13(9-24)10-25/h2,5-6,8,11-13,25H,3-4,7,9-10H2,1H3,(H,21,22,23)
InChIKeyBMKZADPDUGMWKP-UHFFFAOYSA-N
XLogP4.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133350349
3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
CID 133400187
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
CID 122060266
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821
[1-[6-[[2-methyl-2-(3-methylphenyl)propyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304152
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454
[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133346024
[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133380211
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977

Frequently Asked Questions

What is the IUPAC name of [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133307782) is [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is CC(Nc1cc(N2CCCC(CO)C2)ncn1)c1cccc(Cl)c1Cl.
What is the InChIKey of [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is BMKZADPDUGMWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-12(14-5-2-6-15(19)18(14)20)23-16-8-17(22-11-21-16)24-7-3-4-13(9-24)10-25/h2,5-6,8,11-13,25H,3-4,7,9-10H2,1H3,(H,21,22,23).
What are the key properties of [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 381.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133307782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).