3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

C20H27N5O — CID 91787750

IUPAC3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESCc1nc(C2CC(N)C2)cc(N2CCC(OCc3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-14-23-19(15-10-16(21)11-15)12-20(24-14)25-8-5-18(6-9-25)26-13-17-4-2-3-7-22-17/h2-4,7,12,15-16,18H,5-6,8-11,13,21H2,1H3
InChIKeyHQFBBPVHDCEYBX-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.57
Rot. Bonds5

About 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91787750) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91787750
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESCc1nc(C2CC(N)C2)cc(N2CCC(OCc3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-14-23-19(15-10-16(21)11-15)12-20(24-14)25-8-5-18(6-9-25)26-13-17-4-2-3-7-22-17/h2-4,7,12,15-16,18H,5-6,8-11,13,21H2,1H3
InChIKeyHQFBBPVHDCEYBX-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 126439671
3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine
CID 91796183
3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91782421
3-[2-methyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 171134905
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42101463
3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine
CID 91760537
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222
3-[2-cyclopropyl-6-[4-(3-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154903329
3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91766574

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (CID 91787750) is 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is Cc1nc(C2CC(N)C2)cc(N2CCC(OCc3ccccn3)CC2)n1.
What is the InChIKey of 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is HQFBBPVHDCEYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-23-19(15-10-16(21)11-15)12-20(24-14)25-8-5-18(6-9-25)26-13-17-4-2-3-7-22-17/h2-4,7,12,15-16,18H,5-6,8-11,13,21H2,1H3.
What are the key properties of 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 353.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91787750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).