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

C19H31N5OS — CID 91766574

IUPAC3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C19H31N5OS/c1-25-13-18-21-17(14-10-15(20)11-14)12-19(22-18)24-4-2-16(3-5-24)23-6-8-26-9-7-23/h12,14-16H,2-11,13,20H2,1H3
InChIKeyVIPPEOQLFDUIBJ-UHFFFAOYSA-N
MW377.56 g/mol
LogP1.85
Rot. Bonds5

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

3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91766574) has the molecular formula C19H31N5OS and a molecular weight of 377.56 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91766574
Molecular FormulaC19H31N5OS
Molecular Weight377.56 g/mol
Exact Mass377.22
IUPAC Name3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C19H31N5OS/c1-25-13-18-21-17(14-10-15(20)11-14)12-19(22-18)24-4-2-16(3-5-24)23-6-8-26-9-7-23/h12,14-16H,2-11,13,20H2,1H3
InChIKeyVIPPEOQLFDUIBJ-UHFFFAOYSA-N
XLogP1.85
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902523
4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
CID 126446346
3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91782421
3-[2-(methoxymethyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902827
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
2-(methoxymethyl)-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 113401412
3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91787750
4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91772177
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine (CID 91766574) is 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine is COCc1nc(C2CC(N)C2)cc(N2CCC(N3CCSCC3)CC2)n1.
What is the InChIKey of 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is VIPPEOQLFDUIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OS/c1-25-13-18-21-17(14-10-15(20)11-14)12-19(22-18)24-4-2-16(3-5-24)23-6-8-26-9-7-23/h12,14-16H,2-11,13,20H2,1H3.
What are the key properties of 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 377.56 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91766574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).