4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride

C15H26Cl2N6O — CID 154902625

IUPAC4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
SMILESCN(C)C(=O)N1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C15H24N6O.2ClH/c1-19(2)15(22)21-5-3-20(4-6-21)14-9-13(17-10-18-14)11-7-12(16)8-11;;/h9-12H,3-8,16H2,1-2H3;2*1H
InChIKeyASQIBQSQTMHAOL-UHFFFAOYSA-N
MW377.32 g/mol
LogP1.33
Rot. Bonds2

About 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride

4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride (PubChem CID 154902625) has the molecular formula C15H26Cl2N6O and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
PubChem CID154902625
Molecular FormulaC15H26Cl2N6O
Molecular Weight377.32 g/mol
Exact Mass376.15
IUPAC Name4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
SMILESCN(C)C(=O)N1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C15H24N6O.2ClH/c1-19(2)15(22)21-5-3-20(4-6-21)14-9-13(17-10-18-14)11-7-12(16)8-11;;/h9-12H,3-8,16H2,1-2H3;2*1H
InChIKeyASQIBQSQTMHAOL-UHFFFAOYSA-N
XLogP1.33
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902365
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 126850117
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91798327
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946
3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902532
1-[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;dihydrochloride
CID 154903346
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
CID 154902300
3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902759

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride?
The IUPAC name of 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride (CID 154902625) is 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride is CN(C)C(=O)N1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl.
What is the InChIKey of 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride?
The InChIKey is ASQIBQSQTMHAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O.2ClH/c1-19(2)15(22)21-5-3-20(4-6-21)14-9-13(17-10-18-14)11-7-12(16)8-11;;/h9-12H,3-8,16H2,1-2H3;2*1H.
What are the key properties of 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride?
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride has a molecular weight of 377.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 154902625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).