[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride

C12H22ClN5 — CID 139084866

IUPAC[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
SMILESCc1cc(N2CCC([NH+](C)C)CC2)nc(N)n1.[Cl-]
InChIInChI=1S/C12H21N5.ClH/c1-9-8-11(15-12(13)14-9)17-6-4-10(5-7-17)16(2)3;/h8,10H,4-7H2,1-3H3,(H2,13,14,15);1H
InChIKeyOYRLQJLOOFJYCF-UHFFFAOYSA-N
MW271.80 g/mol
LogP-3.52
Rot. Bonds2

About [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride

[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride (PubChem CID 139084866) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride.

Molecular Properties

Compound Name[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
PubChem CID139084866
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
SMILESCc1cc(N2CCC([NH+](C)C)CC2)nc(N)n1.[Cl-]
InChIInChI=1S/C12H21N5.ClH/c1-9-8-11(15-12(13)14-9)17-6-4-10(5-7-17)16(2)3;/h8,10H,4-7H2,1-3H3,(H2,13,14,15);1H
InChIKeyOYRLQJLOOFJYCF-UHFFFAOYSA-N
XLogP-3.52
TPSA59.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 5-3.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
CID 71081298
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
CID 78928279
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
CID 97187975
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015
4-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-2-amine
CID 103850288
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
CID 103739613
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride?
The IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride (CID 139084866) is [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride.
What is the SMILES notation for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride?
The canonical SMILES for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride is Cc1cc(N2CCC([NH+](C)C)CC2)nc(N)n1.[Cl-].
What is the InChIKey of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride?
The InChIKey is OYRLQJLOOFJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.ClH/c1-9-8-11(15-12(13)14-9)17-6-4-10(5-7-17)16(2)3;/h8,10H,4-7H2,1-3H3,(H2,13,14,15);1H.
What are the key properties of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride?
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride has a molecular weight of 271.80 g/mol, XLogP of -3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride is sourced from PubChem (CID 139084866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).