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

C21H31Cl2N5 — CID 154902683

IUPAC1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
SMILESCN(Cc1ccccc1)C1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C21H29N5.2ClH/c1-25(14-16-5-3-2-4-6-16)19-7-9-26(10-8-19)21-13-20(23-15-24-21)17-11-18(22)12-17;;/h2-6,13,15,17-19H,7-12,14,22H2,1H3;2*1H
InChIKeyWEIPEPNLQXIMCG-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.63
Rot. Bonds5

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

1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride (PubChem CID 154902683) has the molecular formula C21H31Cl2N5 and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
PubChem CID154902683
Molecular FormulaC21H31Cl2N5
Molecular Weight424.42 g/mol
Exact Mass423.20
IUPAC Name1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
SMILESCN(Cc1ccccc1)C1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C21H29N5.2ClH/c1-25(14-16-5-3-2-4-6-16)19-7-9-26(10-8-19)21-13-20(23-15-24-21)17-11-18(22)12-17;;/h2-6,13,15,17-19H,7-12,14,22H2,1H3;2*1H
InChIKeyWEIPEPNLQXIMCG-UHFFFAOYSA-N
XLogP3.63
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
CID 154902300
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
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
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
3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91785943
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91798327
4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 138029939
3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride (CID 154902683) is 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride is CN(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-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is WEIPEPNLQXIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5.2ClH/c1-25(14-16-5-3-2-4-6-16)19-7-9-26(10-8-19)21-13-20(23-15-24-21)17-11-18(22)12-17;;/h2-6,13,15,17-19H,7-12,14,22H2,1H3;2*1H.
What are the key properties of 1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride?
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 3.63, 5 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-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).