3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

C21H31Cl2N5O — CID 154902353

IUPAC3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCOc1cccc(N2CCN(c3cc(C4CC(N)C4)ncn3)CC2(C)C)c1.Cl.Cl
InChIInChI=1S/C21H29N5O.2ClH/c1-21(2)13-25(7-8-26(21)17-5-4-6-18(11-17)27-3)20-12-19(23-14-24-20)15-9-16(22)10-15;;/h4-6,11-12,14-16H,7-10,13,22H2,1-3H3;2*1H
InChIKeyFYBIAQQMUOGACL-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.64
Rot. Bonds4

About 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (PubChem CID 154902353) has the molecular formula C21H31Cl2N5O and a molecular weight of 440.42 g/mol. Its IUPAC name is 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
PubChem CID154902353
Molecular FormulaC21H31Cl2N5O
Molecular Weight440.42 g/mol
Exact Mass439.19
IUPAC Name3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCOc1cccc(N2CCN(c3cc(C4CC(N)C4)ncn3)CC2(C)C)c1.Cl.Cl
InChIInChI=1S/C21H29N5O.2ClH/c1-21(2)13-25(7-8-26(21)17-5-4-6-18(11-17)27-3)20-12-19(23-14-24-20)15-9-16(22)10-15;;/h4-6,11-12,14-16H,7-10,13,22H2,1-3H3;2*1H
InChIKeyFYBIAQQMUOGACL-UHFFFAOYSA-N
XLogP3.64
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride with MolForge

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Related Compounds

4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154901742
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155941962
1-(3-methoxyphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020135
3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902532
3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902365
3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902759
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
CID 72841234
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-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine
CID 91828450

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (CID 154902353) is 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is COc1cccc(N2CCN(c3cc(C4CC(N)C4)ncn3)CC2(C)C)c1.Cl.Cl.
What is the InChIKey of 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is FYBIAQQMUOGACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O.2ClH/c1-21(2)13-25(7-8-26(21)17-5-4-6-18(11-17)27-3)20-12-19(23-14-24-20)15-9-16(22)10-15;;/h4-6,11-12,14-16H,7-10,13,22H2,1-3H3;2*1H.
What are the key properties of 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 440.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 154902353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).