6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine

C15H22N6O2 — CID 91771811

IUPAC6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCOCCc1noc(CN(C)c2cc(C3CC(N)C3)ncn2)n1
InChIInChI=1S/C15H22N6O2/c1-21(8-15-19-13(20-23-15)3-4-22-2)14-7-12(17-9-18-14)10-5-11(16)6-10/h7,9-11H,3-6,8,16H2,1-2H3
InChIKeyHGVSVLLARBBYFE-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.89
Rot. Bonds7

About 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine (PubChem CID 91771811) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine
PubChem CID91771811
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCOCCc1noc(CN(C)c2cc(C3CC(N)C3)ncn2)n1
InChIInChI=1S/C15H22N6O2/c1-21(8-15-19-13(20-23-15)3-4-22-2)14-7-12(17-9-18-14)10-5-11(16)6-10/h7,9-11H,3-6,8,16H2,1-2H3
InChIKeyHGVSVLLARBBYFE-UHFFFAOYSA-N
XLogP0.89
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
6-(3-aminocyclobutyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902209
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 91760423
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901529
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidine-2,4-diamine
CID 91769437
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 91837128
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine (CID 91771811) is 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine is COCCc1noc(CN(C)c2cc(C3CC(N)C3)ncn2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine?
The InChIKey is HGVSVLLARBBYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-21(8-15-19-13(20-23-15)3-4-22-2)14-7-12(17-9-18-14)10-5-11(16)6-10/h7,9-11H,3-6,8,16H2,1-2H3.
What are the key properties of 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 91771811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).