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

C20H27N5O — CID 91782421

IUPAC3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(c3ccncc3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-26-13-19-23-18(16-10-17(21)11-16)12-20(24-19)25-8-4-15(5-9-25)14-2-6-22-7-3-14/h2-3,6-7,12,15-17H,4-5,8-11,13,21H2,1H3
InChIKeyXDRDCWFXSJSEPD-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.61
Rot. Bonds5

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

3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91782421) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91782421
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(c3ccncc3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-26-13-19-23-18(16-10-17(21)11-16)12-20(24-19)25-8-4-15(5-9-25)14-2-6-22-7-3-14/h2-3,6-7,12,15-17H,4-5,8-11,13,21H2,1H3
InChIKeyXDRDCWFXSJSEPD-UHFFFAOYSA-N
XLogP2.61
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(methoxymethyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902827
3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902523
3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91766574
N-[1-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide;dihydrochloride
CID 154902260
4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
CID 154902331
3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91768169
3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154903312
3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91787750
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91772623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine (CID 91782421) is 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine is COCc1nc(C2CC(N)C2)cc(N2CCC(c3ccncc3)CC2)n1.
What is the InChIKey of 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is XDRDCWFXSJSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-26-13-19-23-18(16-10-17(21)11-16)12-20(24-19)25-8-4-15(5-9-25)14-2-6-22-7-3-14/h2-3,6-7,12,15-17H,4-5,8-11,13,21H2,1H3.
What are the key properties of 3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 353.47 g/mol, XLogP of 2.61, 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-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91782421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).