3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

C18H21Cl2N5 — CID 91798327

IUPAC3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncn2)C1
InChIInChI=1S/C18H21Cl2N5/c19-15-2-1-14(9-16(15)20)24-3-5-25(6-4-24)18-10-17(22-11-23-18)12-7-13(21)8-12/h1-2,9-13H,3-8,21H2
InChIKeyLUUBJWYAECZYOU-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.31
Rot. Bonds3

About 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91798327) has the molecular formula C18H21Cl2N5 and a molecular weight of 378.31 g/mol. Its IUPAC name is 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91798327
Molecular FormulaC18H21Cl2N5
Molecular Weight378.31 g/mol
Exact Mass377.12
IUPAC Name3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncn2)C1
InChIInChI=1S/C18H21Cl2N5/c19-15-2-1-14(9-16(15)20)24-3-5-25(6-4-24)18-10-17(22-11-23-18)12-7-13(21)8-12/h1-2,9-13H,3-8,21H2
InChIKeyLUUBJWYAECZYOU-UHFFFAOYSA-N
XLogP3.31
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
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-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902532
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902759
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902353
3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91785943

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (CID 91798327) is 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is NC1CC(c2cc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is LUUBJWYAECZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5/c19-15-2-1-14(9-16(15)20)24-3-5-25(6-4-24)18-10-17(22-11-23-18)12-7-13(21)8-12/h1-2,9-13H,3-8,21H2.
What are the key properties of 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 378.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91798327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).