3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

C20H35Cl2N5O — CID 154902523

IUPAC3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(N3CCCCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C20H33N5O.2ClH/c1-26-14-19-22-18(15-11-16(21)12-15)13-20(23-19)25-9-5-17(6-10-25)24-7-3-2-4-8-24;;/h13,15-17H,2-12,14,21H2,1H3;2*1H
InChIKeyMKOGOEOZOBWNHF-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.13
Rot. Bonds5

About 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (PubChem CID 154902523) has the molecular formula C20H35Cl2N5O and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
PubChem CID154902523
Molecular FormulaC20H35Cl2N5O
Molecular Weight432.44 g/mol
Exact Mass431.22
IUPAC Name3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(N3CCCCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C20H33N5O.2ClH/c1-26-14-19-22-18(15-11-16(21)12-15)13-20(23-19)25-9-5-17(6-10-25)24-7-3-2-4-8-24;;/h13,15-17H,2-12,14,21H2,1H3;2*1H
InChIKeyMKOGOEOZOBWNHF-UHFFFAOYSA-N
XLogP3.13
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (CID 154902523) is 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is COCc1nc(C2CC(N)C2)cc(N2CCC(N3CCCCC3)CC2)n1.Cl.Cl.
What is the InChIKey of 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is MKOGOEOZOBWNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.2ClH/c1-26-14-19-22-18(15-11-16(21)12-15)13-20(23-19)25-9-5-17(6-10-25)24-7-3-2-4-8-24;;/h13,15-17H,2-12,14,21H2,1H3;2*1H.
What are the key properties of 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 154902523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).