1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride

C22H33Cl2N5 — CID 154902300

IUPAC1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
SMILESCCN(Cc1ccccc1)C1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C22H31N5.2ClH/c1-2-26(15-17-6-4-3-5-7-17)20-8-10-27(11-9-20)22-14-21(24-16-25-22)18-12-19(23)13-18;;/h3-7,14,16,18-20H,2,8-13,15,23H2,1H3;2*1H
InChIKeyGQXXDIBHJUVGAU-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.02
Rot. Bonds6

About 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride

1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride (PubChem CID 154902300) has the molecular formula C22H33Cl2N5 and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
PubChem CID154902300
Molecular FormulaC22H33Cl2N5
Molecular Weight438.45 g/mol
Exact Mass437.21
IUPAC Name1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
SMILESCCN(Cc1ccccc1)C1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C22H31N5.2ClH/c1-2-26(15-17-6-4-3-5-7-17)20-8-10-27(11-9-20)22-14-21(24-16-25-22)18-12-19(23)13-18;;/h3-7,14,16,18-20H,2,8-13,15,23H2,1H3;2*1H
InChIKeyGQXXDIBHJUVGAU-UHFFFAOYSA-N
XLogP4.02
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902365
3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91785943
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 138029939
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91798327
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride (CID 154902300) is 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride is CCN(Cc1ccccc1)C1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl.
What is the InChIKey of 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride?
The InChIKey is GQXXDIBHJUVGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5.2ClH/c1-2-26(15-17-6-4-3-5-7-17)20-8-10-27(11-9-20)22-14-21(24-16-25-22)18-12-19(23)13-18;;/h3-7,14,16,18-20H,2,8-13,15,23H2,1H3;2*1H.
What are the key properties of 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride?
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride has a molecular weight of 438.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).