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

C15H23FN4O — CID 91797711

IUPAC3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(F)CC2)n1
InChIInChI=1S/C15H23FN4O/c1-21-9-14-18-13(10-6-12(17)7-10)8-15(19-14)20-4-2-11(16)3-5-20/h8,10-12H,2-7,9,17H2,1H3
InChIKeyKXXIUINZZPCZHN-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.77
Rot. Bonds4

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

3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91797711) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91797711
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(F)CC2)n1
InChIInChI=1S/C15H23FN4O/c1-21-9-14-18-13(10-6-12(17)7-10)8-15(19-14)20-4-2-11(16)3-5-20/h8,10-12H,2-7,9,17H2,1H3
InChIKeyKXXIUINZZPCZHN-UHFFFAOYSA-N
XLogP1.77
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
6-(trans-3-aminocyclobutyl)-N~4~-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}pyrimidine-2,4-diamine
CID 91760808
[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
N-ethyl-2-methyl-6-piperidin-4-yl-N-propylpyrimidin-4-amine
CID 56722629
4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 56869819
N-ethyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}propanamide
CID 56886571
N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 66509808
6-isopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 72851576
rel-(3R,4S)-4-cyclopropyl-1-[6-ethyl-2-(4-morpholinyl)-4-pyrimidinyl]-3-pyrrolidinamine dihydrochloride
CID 72873173
5-chloro-N~4~-{trans-3-[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]cyclobutyl}-6-methylpyrimidine-2,4-diamine
CID 91762075

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine (CID 91797711) is 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine is COCc1nc(C2CC(N)C2)cc(N2CCC(F)CC2)n1.
What is the InChIKey of 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is KXXIUINZZPCZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-21-9-14-18-13(10-6-12(17)7-10)8-15(19-14)20-4-2-11(16)3-5-20/h8,10-12H,2-7,9,17H2,1H3.
What are the key properties of 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine?
3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 294.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluoropiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91797711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).