3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

C18H26Cl2N6 — CID 154902365

IUPAC3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCc1cccnc1N1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C18H24N6.2ClH/c1-13-3-2-4-20-18(13)24-7-5-23(6-8-24)17-11-16(21-12-22-17)14-9-15(19)10-14;;/h2-4,11-12,14-15H,5-10,19H2,1H3;2*1H
InChIKeyMIZMZHVJWXZSIJ-UHFFFAOYSA-N
MW397.35 g/mol
LogP2.55
Rot. Bonds3

About 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (PubChem CID 154902365) has the molecular formula C18H26Cl2N6 and a molecular weight of 397.35 g/mol. Its IUPAC name is 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
PubChem CID154902365
Molecular FormulaC18H26Cl2N6
Molecular Weight397.35 g/mol
Exact Mass396.16
IUPAC Name3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCc1cccnc1N1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl
InChIInChI=1S/C18H24N6.2ClH/c1-13-3-2-4-20-18(13)24-7-5-23(6-8-24)17-11-16(21-12-22-17)14-9-15(19)10-14;;/h2-4,11-12,14-15H,5-10,19H2,1H3;2*1H
InChIKeyMIZMZHVJWXZSIJ-UHFFFAOYSA-N
XLogP2.55
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91798327
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
CID 154902300
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902353
3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902532
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-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (CID 154902365) is 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is Cc1cccnc1N1CCN(c2cc(C3CC(N)C3)ncn2)CC1.Cl.Cl.
What is the InChIKey of 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is MIZMZHVJWXZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6.2ClH/c1-13-3-2-4-20-18(13)24-7-5-23(6-8-24)17-11-16(21-12-22-17)14-9-15(19)10-14;;/h2-4,11-12,14-15H,5-10,19H2,1H3;2*1H.
What are the key properties of 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 397.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 154902365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).