3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride

C13H24Cl2N4O — CID 154916752

IUPAC3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride
SMILESCCc1cnc(C)nc1NCC1(O)CCCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-3-11-7-15-10(2)17-12(11)16-9-13(18)5-4-6-14-8-13;;/h7,14,18H,3-6,8-9H2,1-2H3,(H,15,16,17);2*1H
InChIKeyCJZOANVZAHQOBV-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.72
Rot. Bonds4

About 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride

3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride (PubChem CID 154916752) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride
PubChem CID154916752
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC Name3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride
SMILESCCc1cnc(C)nc1NCC1(O)CCCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-3-11-7-15-10(2)17-12(11)16-9-13(18)5-4-6-14-8-13;;/h7,14,18H,3-6,8-9H2,1-2H3,(H,15,16,17);2*1H
InChIKeyCJZOANVZAHQOBV-UHFFFAOYSA-N
XLogP1.72
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride with MolForge

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Related Compounds

4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-1-methylpiperidin-4-ol
CID 135098110
2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol
CID 134702570
[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 131905026
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
1-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 133447647
1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 105366996
1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 79073024
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 166243260
1-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80828340
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride?
The IUPAC name of 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride (CID 154916752) is 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride is CCc1cnc(C)nc1NCC1(O)CCCNC1.Cl.Cl.
What is the InChIKey of 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride?
The InChIKey is CJZOANVZAHQOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-3-11-7-15-10(2)17-12(11)16-9-13(18)5-4-6-14-8-13;;/h7,14,18H,3-6,8-9H2,1-2H3,(H,15,16,17);2*1H.
What are the key properties of 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride?
3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 154916752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).